SCHEMBL8959835

SCHEMBL8959835

CCCCC(CCCC)CCCCC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.64
GABRB2 P47870 3/20 0.64
ADAM17 P78536 1/20 0.57
CTNNB1 P35222 5/20 0.56
WNT3A P56704 5/20 0.56
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.50
KDM1A O60341 1/20 0.49
PBRM1 Q86U86 1/20 0.49
MTNR1A P48039 1/20 0.48
GPR84 Q9NQS5 1/20 0.48

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
SCHEMBL1563151 0.89 GABRA1 (0.74) GABRA1GABRB2ADAM17CTNNB1WNT3A
SCHEMBL8959575 0.88 GABRA1 (0.72) GABRA1GABRB2ADAM17CTNNB1WNT3A
SCHEMBL8077164 0.88 GABRA1 (0.72) GABRA1GABRB2ADAM17CTNNB1WNT3A
SCHEMBL8959954 0.88 GABRA1 (0.72) GABRA1GABRB2ADAM17CTNNB1WNT3A
SCHEMBL8959628 0.88 GABRA1 (0.72) GABRA1GABRB2ADAM17CTNNB1WNT3A
SCHEMBL8960008 0.88 GABRA1 (0.72) GABRA1GABRB2ADAM17CTNNB1WNT3A
SCHEMBL8960031 0.88 GABRA1 (0.72) GABRA1GABRB2ADAM17CTNNB1WNT3A
SCHEMBL8959866 0.88 GABRA1 (0.72) GABRA1GABRB2ADAM17CTNNB1WNT3A
SCHEMBL28751191 0.88 GABRA1 (0.81) GABRA1GABRB2ADAM17CTNNB1WNT3A
SCHEMBL9633079 0.83 ADAM17 (0.73) GABRA1GABRB2ADAM17CTNNB1WNT3A

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