SCHEMBL8993062

SCHEMBL8993062

COc1cc(Cc2ccc(CCl)cc2)cc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 5/20 0.54
LTA4H P09960 1/20 0.48
CYP19A1 P11511 1/20 0.47
AKR1B1 P15121 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TTR P02766 1/20 0.41
CA2 P00918 1/20 0.41
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP17A1 P05093 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8993257 0.85 LTA4H (0.65) LTA4HALDH1A1CA2SAE1UBA2
SCHEMBL8992966 0.83 LTA4H (0.53) LTA4HALDH1A1LMNASMN1; SMN2
SCHEMBL1279836 0.83 ALDH1A1 (0.58) CALM1CYP19A1AKR1B1ALDH1A1TTR
SCHEMBL5252553 0.82 ALDH1A1 (0.65) CALM1LTA4HCYP19A1AKR1B1ALDH1A1
SCHEMBL19352719 0.82 CALM1 (0.56) CALM1LTA4HCYP19A1AKR1B1ALDH1A1
SCHEMBL11261073 0.81 ALDH1A1 (0.55) CALM1CYP19A1AKR1B1ALDH1A1TTR
SCHEMBL8993248 0.80 CALM1 (0.59) CALM1LTA4HCYP19A1AKR1B1ALDH1A1
SCHEMBL11810459 0.79 LTA4H (0.69) CALM1LTA4HCYP19A1ALDH1A1TSHR
SCHEMBL13096 0.78 IDO1 (0.58) CALM1LTA4HALDH1A1CA2SMN1; SMN2
SCHEMBL20865065 0.78 ALDH1A1 (0.50) CALM1CYP19A1AKR1B1ALDH1A1TTR

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