SCHEMBL10760741

SCHEMBL10760741

C=CCN1CC(c2ccccc2)CC1=O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.56
TP53 P04637 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
BRD4 O60885 4/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL13533666 0.87 TSHR (0.67) TSHRHPGDTP53CHRM2CHRM4
SCHEMBL13533665 0.87 TSHR (0.67) TSHRHPGDTP53CHRM2CHRM4
SCHEMBL6988742 0.87 TSHR (0.67) TSHRHPGDTP53CHRM2CHRM4
SCHEMBL3265469 0.82 BRD4 (0.49) TSHRHPGDBRD4MEN1KMT2A
SCHEMBL11471890 0.79 HPGD (0.73) TSHRHPGDTP53CHRM2CHRM4
SCHEMBL11472575 0.79 TSHR (0.69) TSHRHPGDTP53CHRM2CHRM4
SCHEMBL10762307 0.79 HPGD (0.69) TSHRHPGDTP53CHRM2CHRM4
SCHEMBL2958047 0.79 TSHR (0.69) TSHRHPGDTP53CHRM2CHRM4
SCHEMBL13532862 0.79 HPGD (0.69) TSHRHPGDTP53CHRM2CHRM4
SCHEMBL16033027 0.78 HPGD (1.00) TSHRHPGDTP53CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4699918-A ANTICOAGULANTS, ANTIARRHYTHMIA AGENTS LABORATOIRES JACQUES LOGEAIS (FR) 1987-10-13 US disclosed
US-4556674-A ANTICOAGULANTS, ANTIARRHYTHMIA AGENTS LABORATOIRES JACQUES LOGEAIS (FR) 1985-12-03 US disclosed