SCHEMBL11801641

SCHEMBL11801641

CCOc1ccc(C([O])=O)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.76
MAPK1 P28482 1/20 0.73
L3MBTL1 Q9Y468 2/20 0.67
HPGD P15428 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 1/20 0.57
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53

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
SCHEMBL566581 0.86 TSHR (1.00) TSHRMAPK1L3MBTL1HPGDSMN1; SMN2
SCHEMBL10764055 0.86 TSHR (0.76) TSHRMAPK1L3MBTL1HPGDSMN1; SMN2
SCHEMBL5069706 0.85 TSHR (0.73) TSHRMAPK1HPGDSMN1; SMN2ALDH1A1
SCHEMBL1015707 0.85 TSHR (0.73) TSHRMAPK1L3MBTL1HPGDSMN1; SMN2
SCHEMBL6423567 0.85 TSHR (0.73) TSHRMAPK1L3MBTL1HPGDSMN1; SMN2
SCHEMBL15988936 0.85 TSHR (0.73) TSHRMAPK1L3MBTL1HPGDSMN1; SMN2
SCHEMBL6944861 0.85 MAPK1 (1.00) TSHRMAPK1L3MBTL1HPGDSMN1; SMN2
SCHEMBL31474384 0.83 TSHR (0.71) TSHRMAPK1L3MBTL1HPGDSMN1; SMN2
SCHEMBL310621 0.83 TSHR (0.71) TSHRMAPK1L3MBTL1HPGDSMN1; SMN2
SCHEMBL5076592 0.83 TSHR (0.76) TSHRMAPK1L3MBTL1HPGDSMN1; SMN2

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-3936462-A CNS DEPRESSANT, ANALGESIC STERLING DRUG INC. (US) 1976-02-03 US disclosed