SCHEMBL8993256

SCHEMBL8993256

Cc1cc(COC2CCCCO2)ccc1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
CREBBP Q92793 2/20 0.40
EP300 Q09472 1/20 0.40
TACR1 P25103 3/20 0.39
DHFR P00374 1/20 0.39
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL8992916 0.87 DHFR (0.46) KDM4CTACR1DHFR
SCHEMBL27316374 0.83 KDM4C (0.39) KDM4CCREBBPEP300TACR1DHFR
SCHEMBL4184332 0.80 KDM4C (0.47) KDM4CCREBBPEP300TACR1ICAM1
SCHEMBL18355699 0.79 TACR1 (0.46) KDM4CCREBBPEP300TACR1MEN1
SCHEMBL11258174 0.79 KDM4C (0.46) KDM4CCREBBPEP300TACR1ICAM1
SCHEMBL8992945 0.79 ICAM1 (0.38) KDM4CCREBBPEP300TACR1ICAM1
SCHEMBL92906 0.79 DRD4 (0.47) KDM4CCREBBPEP300TACR1ICAM1
SCHEMBL14650403 0.78 ICAM1 (0.36) KDM4CCREBBPEP300DHFRICAM1
SCHEMBL8992804 0.78 DHFR (0.39) CREBBPTACR1DHFRICAM1SELE
SCHEMBL14650399 0.78 CREBBP (0.34) KDM4CCREBBPEP300DHFRICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036919-C Pyrazole condensed ring derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMA CO LTD (JP) 1998-01-07 CN disclosed
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
CN-1089609-A Pyrazole-fused ring derivatives, its manufacture method and male hormone inhibitor OTSUKA PHARMA CO LTD (JP) 1994-07-20 CN 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