SCHEMBL3260732

SCHEMBL3260732

CCOC(=O)c1cc(-c2ccc(C(O)C(F)F)cc2)c2ccc(-c3ccc(SC)cc3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.39
P2RY14 Q15391 3/20 0.38
DRD1 P21728 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCL2L1 Q07817 1/20 0.34

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
SCHEMBL3755119 1.00 TMEM97 (0.39) TMEM97P2RY14DRD1SIGMAR1MEN1
SCHEMBL3746870 0.89 GRM2 (0.41) TMEM97P2RY14DRD1SIGMAR1MEN1
SCHEMBL3759380 0.86 TMEM97 (0.51) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL3749731 0.86 P2RY14 (0.43) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL2934955 0.78 BCL2L1 (0.47) P2RY14MEN1ALDH1A1LMNAMAPT
SCHEMBL2930789 0.76 TMEM97 (0.51) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL2927418 0.73 TMEM97 (0.46) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL3752178 0.73 P2RY14 (0.46) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL2929310 0.72 ALDH1A1 (0.41) TMEM97P2RY14MEN1ALDH1A1LMNA
SCHEMBL3761498 0.70 P2RY14 (0.61) TMEM97P2RY14DRD1SIGMAR1

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
EP-2229373-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY Merck Frosst Canada Ltd. (CA) 2010-09-22 EP disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed