SCHEMBL8959745

SCHEMBL8959745

CC(C)CCC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.66
CTNNB1 P35222 5/20 0.65
WNT3A P56704 5/20 0.65
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
PBRM1 Q86U86 1/20 0.57
GPR84 Q9NQS5 1/20 0.56
KDM1A O60341 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB2 P47870 1/20 0.55
MEN1 O00255 3/20 0.54
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
ATM Q13315 1/20 0.53
NR4A2 P43354 1/20 0.53
CREBBP Q92793 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL9633079 0.84 ADAM17 (0.73) ADAM17CTNNB1WNT3AKMT2AALDH1A1
SCHEMBL28751191 0.80 GABRA1 (0.81) ADAM17CTNNB1WNT3AKMT2ALMNA
SCHEMBL9048121 0.80 ADAM17 (0.71) ADAM17CTNNB1WNT3AKMT2AALDH1A1
SCHEMBL7214385 0.80 ADAM17 (1.00) ADAM17CTNNB1WNT3AKMT2AALDH1A1
SCHEMBL1903034 0.79 ADAM17 (0.66) ADAM17CTNNB1WNT3AKMT2AALDH1A1
SCHEMBL15968498 0.79 CTNNB1 (1.00) ADAM17CTNNB1WNT3AKMT2AALDH1A1
SCHEMBL31588418 0.79 CTNNB1 (0.68) ADAM17CTNNB1WNT3AKMT2AALDH1A1
SCHEMBL7279129 0.79 ADAM17 (0.66) ADAM17CTNNB1WNT3AKMT2AALDH1A1
SCHEMBL1563151 0.79 GABRA1 (0.74) ADAM17CTNNB1WNT3AKMT2ALMNA
SCHEMBL15969761 0.78 CTNNB1 (1.00) ADAM17CTNNB1WNT3AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed