SCHEMBL8960038

SCHEMBL8960038

CCOC(=O)CCCn1cc(CCCC(C)C)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.56
CREBBP Q92793 1/20 0.56
TNF P01375 2/20 0.49
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
MCL1 Q07820 2/20 0.47
CDC25A P30304 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ICMT O60725 1/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CTNNB1 P35222 1/20 0.43

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
SCHEMBL8959708 0.86 CNR1 (0.51) CNR1CREBBPTNFCYP4F2CYP4A11
SCHEMBL8959922 0.85 MCL1 (0.55) CREBBPMCL1CDC25AICMTKDM4E
SCHEMBL28840780 0.84 CREBBP (0.62) CNR1CREBBPTNFCYP4F2CYP4A11
SCHEMBL11381706 0.83 HTR6 (0.57) CNR1CREBBPTNF
SCHEMBL8960034 0.83 CNR1 (0.64) CNR1CREBBPTNFCYP1A2CYP3A4
SCHEMBL11386460 0.81 CNR1 (0.59) CNR1CREBBPTNFCYP4F2CYP4A11
SCHEMBL10248359 0.81 CNR1 (0.51) CNR1MCL1CDC25AICMTKDM4E
SCHEMBL8959981 0.80 CNR1 (0.51) CNR1CREBBPTNFCYP4F2CYP4A11
SCHEMBL27556316 0.79 CNR1 (0.65) CNR1CREBBPTNFCYP4F2CYP4A11
SCHEMBL8959660 0.79 SRD5A1 (0.43) CNR1CREBBPTNFCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed