SCHEMBL28049080

SCHEMBL28049080

COc1ccc([PH](=O)C(=O)c2c(C)cccc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 5/20 0.40
ATM Q13315 2/20 0.40
THRB P10828 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
FFAR4 Q5NUL3 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL27747353 0.86 ALDH1A1 (0.43) ALDH1A1FFAR4L3MBTL1TDP1CES2
SCHEMBL29139796 0.84 CA1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2CES2
SCHEMBL1830537 0.81 L3MBTL1 (0.40) NPC1RAB9AALDH1A1ATMSMN1; SMN2
SCHEMBL28049079 0.78 ALDH1A1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL15760640 0.74 KMT2A (0.56) NPC1RAB9AALDH1A1FFAR4CES2
SCHEMBL28061700 0.73 CA12 (0.43) ALDH1A1ATMSMN1; SMN2LMNACA1
SCHEMBL10482217 0.72 TDP1 (0.37) ALDH1A1ATMSMN1; SMN2L3MBTL1TDP1
SCHEMBL28633195 0.70 L3MBTL1 (0.41) NPC1RAB9AALDH1A1ATMTHRB
SCHEMBL23610602 0.70 CA12 (0.56) ALDH1A1SMN1; SMN2LMNACA1CA2
SCHEMBL27509964 0.70 CYP3A4 (0.47) NPC1RAB9AALDH1A1ATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113825809-B Printing ink, method for producing printed matter using same, and printed matter 东丽株式会社 2024-05-31 CN disclosed
CN-113825810-B Active energy ray-curable lithographic ink and method for producing printed matter using same 东丽株式会社 2023-12-01 CN disclosed
CN-105462307-A Undercoat composition, composition set, inkjet recording method, and printed material FUJIFILM CORP 2016-04-06 CN disclosed
CN-105164216-A Ink jet ink composition, ink jet recording method, ink set, decorative sheet, decorative sheet molded product, method for producing in-mold molded article, and in-mold molded article FUJIFILM CORP 2015-12-16 CN disclosed