SCHEMBL7901501

SCHEMBL7901501

Cc1ccc(S(c2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.53
ALOX12 P18054 2/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
GAA P10253 4/20 0.48
CA12 O43570 4/20 0.48
CA9 Q16790 4/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL29149622 1.00 ACHE (0.53) ACHEALOX12LMNATSHRGAA
SCHEMBL18411846 1.00 ACHE (0.53) ACHEALOX12LMNATSHRGAA
SCHEMBL18411844 1.00 ACHE (0.53) ACHEALOX12LMNATSHRGAA
SCHEMBL18309903 1.00 ACHE (0.53) ACHEALOX12LMNATSHRGAA
SCHEMBL19313114 0.93 ALOX12 (0.46) ACHEALOX12LMNATSHRGAA
SCHEMBL23789697 0.88 GAA (0.58) ACHEGAACA12CA9CA1
SCHEMBL21017486 0.85 HTR6 (0.50) TSHRGAACA12CA9CA1
SCHEMBL18401049 0.85 HTR6 (0.50) TSHRGAACA12CA9CA1
SCHEMBL19413016 0.83 PTGS2 (0.45) ACHEGAACA12CA9CA1
SCHEMBL3259521 0.82 HTR6 (0.53) TSHRGAACA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230209986-A1 Organic Light Emitting Device LG CHEM, LTD. (KR) 2023-06-29 US disclosed
US-6190834-B1 FIRST RESIN BEING AN EPOXY RESIN, AND A SECOND EPOXY RESIN HAVING AN N-SUBSTITUTED CARBAMIC ACID ESTER GROUP AND A RADICAL POLYMERIC UNSATURATED BOND IN ITS SIDE CHAIN HITACHI, LTD. (JP) 2001-02-20 US disclosed