SCHEMBL5606667

SCHEMBL5606667

Cc1ccccc1C#Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.57
FFAR4 Q5NUL3 2/20 0.57
CHRM2 P08172 1/20 0.57
S1PR1 P21453 1/20 0.57
FPR1 P21462 1/20 0.57
FPR3 P25089 1/20 0.57
GPR183 P32249 1/20 0.57
APLNR P35414 1/20 0.57
GPR65 Q8IYL9 1/20 0.57
APP P05067 1/20 0.57
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
HPGD P15428 2/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30446278 1.00 FFAR1 (0.57) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL28432488 0.98 FFAR1 (0.56) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL3644208 0.87 TSHR (0.62) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL30666154 0.87 TSHR (0.62) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL11756435 0.85 FFAR1 (0.58) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL28099433 0.84 FFAR1 (0.60) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL28424109 0.83 FFAR1 (0.56) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL27836393 0.83 FFAR1 (0.55) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL2114742 0.82 APP (0.75) FFAR1APPNPC1SMN1; SMN2MAPT
SCHEMBL5871989 0.82 APP (0.75) FFAR1APPNPC1SMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114408910-A Preparation method of graphene anti-skid wear-resistant modified novel material 中烯新材料(福建)股份有限公司 2022-04-29 CN claimed
CN-102093334-A Method for synthesizing condensed ring thiophene compounds UNIV ZHENGZHOU 2011-06-15 CN claimed
JP-61200932-A None JP disclosed
CN-111686817-B Copper-supported catalyst, preparation method and application thereof 上海博腾智拓医药科技有限公司 2024-02-09 CN disclosed
CN-114408910-A Preparation method of graphene anti-skid wear-resistant modified novel material 中烯新材料(福建)股份有限公司 2022-04-29 CN disclosed
CN-109265324-B Water-phase catalysis Sonogashira cross-coupling reaction and separation and purification method 陕西师范大学 2021-06-01 CN disclosed
CN-108658718-B Preparation method of trans-stilbene compound 温州大学 2020-12-18 CN disclosed
CN-111686817-A Copper-supported catalyst, preparation method and application thereof 凯惠药业(上海)有限公司 2020-09-22 CN disclosed
WO-2019181984-A1 BRANCHED MONODISPERSED POLYETHYLENE GLYCOL, INTERMEDIATE, AND METHOD FOR PRODUCING SAME 日油株式会社 2019-09-26 WO disclosed
WO-2019176875-A1 HETEROBIFUNCTIONAL COMPOUND HAVING MONODISPERSED POLYETHYLENE GLYCOL IN MAIN CHAIN OR SIDE CHAIN 日油株式会社 2019-09-19 WO disclosed
WO-2018075842-A1 CONDENSED BENZODIAZEPINE DERIVATIVES AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-26 WO disclosed
WO-2007128601-A2 METHOD FOR THE PREPARATION OF A COMPOUND OF THE GENERAL FORMULA R1-R1 AND/OR R1-R2 USING HOMO AND HETERO COUPLING REACTIONS LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2007-11-15 WO disclosed
EP-0253408-B1 NEMATIC METHYLTOLANS DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-01-24 EP disclosed
EP-0253408-B1 NEMATIC METHYLTOLANS DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-01-24 EP disclosed
US-4788363-A Nematic methyltolans DAINIPPON INK AND CHEMICALS, INC. (JP) 1988-11-29 US disclosed
US-4788363-A Nematic methyltolans DAINIPPON INK AND CHEMICALS, INC. (JP) 1988-11-29 US disclosed
EP-0253408-A1 Nematic methyltolans DAINIPPON INK AND CHEMICALS, INC. (JP) 1988-01-20 EP disclosed
EP-0253408-A1 Nematic methyltolans DAINIPPON INK AND CHEMICALS, INC. (JP) 1988-01-20 EP disclosed
JP-S61200932-A METHYLTOLAN DERIVATIVE DAINIPPON INK & CHEM INC 1986-09-05 JP disclosed
US-4427595-A Catalyst composition to effect metathesis of acetylenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1984-01-24 US disclosed