SCHEMBL8724959

SCHEMBL8724959

CCOC(=O)CCCn1cc(CC(=O)c2ccc(O)c(O)c2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.52
CREBBP Q92793 1/20 0.51
CDC25A P30304 1/20 0.47
TNF P01375 6/20 0.46
ICMT O60725 1/20 0.46
MCL1 Q07820 2/20 0.44
CNR2 P34972 2/20 0.43
TERT O14746 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL28840780 0.84 CREBBP (0.62) CNR1CREBBPCDC25ATNFICMT
SCHEMBL7861333 0.84 CNR1 (0.67) CNR1CREBBPTNFCNR2L3MBTL1
SCHEMBL8476741 0.80 CNR1 (0.59) CNR1CREBBPTNFCNR2LMNA
SCHEMBL27556316 0.80 CNR1 (0.65) CNR1CREBBPTNFL3MBTL1LMNA
SCHEMBL11386460 0.77 CNR1 (0.59) CNR1CREBBPCDC25ATNFICMT
SCHEMBL8416334 0.76 CDC25A (0.65) CNR1CREBBPCDC25AICMTMCL1
Catechol SCHEMBL27414690 0.76 CREBBP (0.78) CNR1CREBBPTNFL3MBTL1LMNA
SCHEMBL7934794 0.76 CNR1 (0.63) CNR1CREBBPCNR2L3MBTL1LMNA
SCHEMBL8118248 0.76 CNR2 (0.54) CNR1TNFCNR2LMNA
SCHEMBL11381706 0.75 HTR6 (0.57) CNR1CREBBPTNF

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
US-5767139-A SKIN DISORDERS; ALOPECIA; PROSTATE CANCER PFIZER, INC. (US) 1998-06-16 US disclosed
EP-0628040-B1 INDOLE DERIVATIVES AS STEROID 5 ALPHA-REDUCTASE INHIBITORS PFIZER LTD (GB) 1998-03-25 EP disclosed
EP-0628040-A1 INDOLE DERIVATIVES AS STEROID 5 ALPHA-REDUCTASE INHIBITORS Pfizer Limited (GB) 1994-12-14 EP disclosed
WO-1993017014-A1 INDOLE DERIVATIVES AS STEROID 5 ALPHA-REDUCTASE INHIBITORS PFIZER LIMITED (GB) 1993-09-02 WO disclosed