SCHEMBL8992887

SCHEMBL8992887

COc1ccc(Cc2ccc(CC#N)cc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44
PKM P14618 1/20 0.44
CSF1R P07333 1/20 0.43
NTRK2 Q16620 1/20 0.43
CNR2 P34972 1/20 0.43
LTA4H P09960 1/20 0.42

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
SCHEMBL8993322 0.88 CNR2 (0.45) CNR2GAAMAPTTSHRMAPK1
SCHEMBL8993396 0.86 CNR2 (0.48) CNR2IDH1
SCHEMBL5612174 0.82 APLNR (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8993391 0.81 CNR2 (0.44) CNR2GAAMAPTTSHRMAPK1
SCHEMBL8993099 0.80 CNR2 (0.44) CNR2TSHRALDH1A1CA2
SCHEMBL8992958 0.80 LTA4H (0.59) PKMLTA4HGAAFLT3ALDH1A1
SCHEMBL6228438 0.80 PIK3CD (0.41) PKMGAAMAPTTSHRMAPK1
SCHEMBL8992814 0.80 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6223383 0.80 PDCD1 (0.48) TSHRALDH1A1CA2
SCHEMBL8993101 0.80 TTR (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed