SCHEMBL8992790

SCHEMBL8992790

Cc1cc(COC2CCCCO2)ccc1C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.43
CREBBP Q92793 2/20 0.40
EP300 Q09472 1/20 0.40
SLC6A3 Q01959 2/20 0.37
KDM4C Q9H3R0 1/20 0.36
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8992789 0.88 TACR1 (0.40) TACR1SLC6A3ICAM1SELE
SCHEMBL8992825 0.80 TACR1 (0.37) TACR1CREBBPEP300ICAM1SELE
SCHEMBL8993283 0.78 TACR1 (0.40) TACR1CREBBPSLC6A3ICAM1SELE
SCHEMBL8993256 0.77 KDM4C (0.41) TACR1CREBBPEP300KDM4CICAM1
SCHEMBL92906 0.75 DRD4 (0.47) TACR1CREBBPEP300SLC6A3KDM4C
SCHEMBL8992945 0.75 ICAM1 (0.38) TACR1CREBBPEP300KDM4CICAM1
SCHEMBL27343854 0.75 CREBBP (0.38) TACR1CREBBPEP300SLC6A3KDM4C
SCHEMBL25470518 0.74 TACR1 (0.43) TACR1CREBBPEP300KDM4C
SCHEMBL93016 0.74 SMN1; SMN2 (0.47) CREBBPKDM4CICAM1SELE
SCHEMBL4184332 0.74 KDM4C (0.47) TACR1CREBBPEP300KDM4CICAM1

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