SCHEMBL7617784

SCHEMBL7617784

COC=C1CCN(Cc2ccccc2)CC1(Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.44
CYP2D6 P10635 8/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 4/20 0.41
CYP3A4 P08684 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5233107 0.91 CYP2D6 (0.43) NR3C1CYP2D6ALDH1A1TSHRCYP3A4
SCHEMBL5233110 0.91 CYP2D6 (0.43) NR3C1CYP2D6ALDH1A1TSHRCYP3A4
SCHEMBL1618300 0.76 NR3C1 (0.48) NR3C1CYP2D6ALDH1A1TSHRCYP3A4
SCHEMBL5265856 0.76 CYP2D6 (0.44) NR3C1CYP2D6ALDH1A1TSHRCYP3A4
SCHEMBL5265862 0.76 CYP2D6 (0.44) NR3C1CYP2D6ALDH1A1TSHRCYP3A4
SCHEMBL2237372 0.72 NR3C1 (0.45) NR3C1CYP2D6ALDH1A1KDM4EGAA
SCHEMBL18280972 0.71 CYP2D6 (0.46) NR3C1CYP2D6ALDH1A1TSHRCYP3A4
SCHEMBL18280973 0.71 CYP2D6 (0.46) NR3C1CYP2D6ALDH1A1TSHRCYP3A4
SCHEMBL18297025 0.71 CYP2D6 (0.46) NR3C1CYP2D6ALDH1A1TSHRCYP3A4
SCHEMBL7380692 0.70 SIGMAR1 (0.55) CYP3A4MEN1LMNAKMT2A

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-6433171-B1 FOR OSTEOPOROSIS AND/OR FRAILTY, CONGESTIVE HEART FAILURE, FRAILTY ASSOCIATED WITH AGING, OBESITY; ACCELERATING BONE FRACTURE REPAIR, ATTENUATING PROTEIN CATABOLIC RESPONSE AFTER A MAJOR OPERATION, REDUCING CACHEXIA AND PROTEIN LOSS PFIZER INC. 2002-08-13 US disclosed