SCHEMBL627745

SCHEMBL627745

C=CCC(C)=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.45
AKR1C3 P42330 1/20 0.45
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RECQL P46063 1/20 0.43
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
FBP1 P09467 1/20 0.41
KDM1A O60341 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1075486 0.80 GRIK1 (0.43) TSHRALDH1A1AKR1C3USP2ALOX15
SCHEMBL7219057 0.78 ALDH1A1 (0.44) TSHRALDH1A1AKR1C3RECQLFBP1
SCHEMBL433428 0.78 ALDH1A1 (0.44) TSHRALDH1A1AKR1C3RECQLFBP1
SCHEMBL14645051 0.77 AKR1C3 (0.58) TSHRALDH1A1AKR1C3SMN1; SMN2RECQL
SCHEMBL19994182 0.76 TSHR (0.42) TSHRALDH1A1AKR1C3USP2ALOX15
SCHEMBL2241459 0.76 MEN1 (0.40) TSHRALDH1A1AKR1C3USP2ALOX15
SCHEMBL2241456 0.76 MEN1 (0.40) TSHRALDH1A1AKR1C3USP2ALOX15
SCHEMBL295401 0.76 TSHR (0.50) TSHRALDH1A1AKR1C3USP2ALOX15
SCHEMBL598599 0.76 TSHR (0.50) TSHRALDH1A1AKR1C3USP2ALOX15
SCHEMBL295402 0.76 TSHR (0.50) TSHRALDH1A1AKR1C3USP2ALOX15

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684854-A Synthesis method and application of aqueous polyurethane/acrylic ester composition 万华化学集团股份有限公司 2024-09-24 CN claimed
CN-118085222-B Intrinsic polyurethane acrylate antistatic oligomer, coating, preparation method and application thereof 杉金光电(广州)有限公司 2024-07-05 CN claimed
CN-118085222-A Intrinsic polyurethane acrylate antistatic oligomer, coating, preparation method and application thereof 杉金光电(广州)有限公司 2024-05-28 CN claimed
CN-114181353-A Synthesis and application of modified waterborne polyurethane composition 万华化学集团股份有限公司 2022-03-15 CN claimed
US-20120040581-A1 TEMPLATE-SUPPORTED METHOD OF FORMING PATTERNS OF NANOFIBERS IN THE ELECTROSPINNING PROCESS AND USES OF SAID NANOFIBERS CENTRO DE ESTUDIOS INVESTIGACIONES TECNICAS DE GIPUZKOA (ES) 2012-02-16 US claimed
CN-118684854-A Synthesis method and application of aqueous polyurethane/acrylic ester composition 万华化学集团股份有限公司 2024-09-24 CN disclosed
CN-118085222-B Intrinsic polyurethane acrylate antistatic oligomer, coating, preparation method and application thereof 杉金光电(广州)有限公司 2024-07-05 CN disclosed
CN-118085222-A Intrinsic polyurethane acrylate antistatic oligomer, coating, preparation method and application thereof 杉金光电(广州)有限公司 2024-05-28 CN disclosed
CN-114181353-B Synthesis and application of modified waterborne polyurethane composition 万华化学集团股份有限公司 2023-12-19 CN disclosed
CN-114181353-A Synthesis and application of modified waterborne polyurethane composition 万华化学集团股份有限公司 2022-03-15 CN disclosed
CN-107109174-A Adhesive composition and adhesive 第工业制药株式会社 2017-08-29 CN disclosed
CN-107074997-A Aqueous resin dispersion and coating 第工业制药株式会社 2017-08-18 CN disclosed
CN-106928392-A Ethyl acetate grafted isobutylene, isoprene and alkylstyrene polymer and preparation method thereof 中国石油天然气股份有限公司 2017-07-07 CN disclosed
US-20120040581-A1 TEMPLATE-SUPPORTED METHOD OF FORMING PATTERNS OF NANOFIBERS IN THE ELECTROSPINNING PROCESS AND USES OF SAID NANOFIBERS CENTRO DE ESTUDIOS INVESTIGACIONES TECNICAS DE GIPUZKOA (ES) 2012-02-16 US disclosed
WO-2011048206-A1 ANTI-MIGRATION CASING FOR TRANSPONDERS KIM GYEONG-MAN (ES) 2011-04-28 WO disclosed