SCHEMBL10483602

SCHEMBL10483602

C=CC(=O)OC12CC3CC(C1)CC(C(=O)OCc1ccccc1)(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.47
CYP19A1 P11511 2/20 0.47
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ABL1 P00519 1/20 0.40
TSHR P16473 1/20 0.40
RIN1 Q13671 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
DPP8 Q6V1X1 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
SCHEMBL16904705 0.83 LMNA (0.37) CYP17A1CYP19A1LMNARECQLALDH1A1
SCHEMBL14593987 0.78 NPSR1 (0.35) LMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1733254 0.78 CYP17A1 (0.73) CYP17A1CYP19A1LMNARECQLALDH1A1
SCHEMBL17438589 0.78 ALDH1A1 (0.36) LMNARECQLALDH1A1TP53SMN1; SMN2
SCHEMBL14594000 0.77 PKM (0.38) ALDH1A1L3MBTL1
SCHEMBL17438588 0.77 ALDH1A1 (0.36) LMNARECQLALDH1A1TP53SMN1; SMN2
SCHEMBL3953932 0.76 PKM (0.41) LMNAALDH1A1SMN1; SMN2L3MBTL1TGM2
SCHEMBL6560154 0.76 GLA (0.39) LMNAALDH1A1ABL1TSHRRIN1
SCHEMBL14593991 0.76 SCN1A (0.35) CYP17A1CYP19A1LMNAALDH1A1SMN1; SMN2
SCHEMBL17446710 0.75 NPSR1 (0.41) LMNAALDH1A1L3MBTL1

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
JP-1182303-A None JP disclosed
JP-H01182303-A ACRYLIC ACID COPOLYMER AND PRODUCTION THEREOF IDEMITSU KOSAN CO LTD 1989-07-20 JP disclosed