SCHEMBL7814760

SCHEMBL7814760

C[C@@H](CC(=O)O)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.51
FFAR4 Q5NUL3 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
ACACB O00763 2/20 0.47
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACHE P22303 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CMKLR1 Q99788 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
PLA2G10 O15496 2/20 0.38
PLA2G2A P14555 2/20 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
SCHEMBL31037707 1.00 FFAR1 (0.51) FFAR1FFAR4ALDH1A1TSHRACACB
SCHEMBL5325047 0.87 PPARA (0.55) FFAR1FFAR4ALDH1A1TSHRPOLB
SCHEMBL12836583 0.85 FFAR1 (0.53) FFAR1FFAR4ALDH1A1TSHRACACB
SCHEMBL12895102 0.85 FFAR1 (0.53) FFAR1FFAR4ALDH1A1TSHRACACB
SCHEMBL8556375 0.85 ALDH1A1 (0.41) FFAR1FFAR4ALDH1A1TSHRACACB
SCHEMBL27582399 0.82 KMT2A (0.43) FFAR1ALDH1A1TSHRACACBPOLB
SCHEMBL2207966 0.81 FFAR1 (0.56) FFAR1FFAR4ALDH1A1TSHRL3MBTL1
SCHEMBL22823697 0.81 FFAR1 (0.53) FFAR1FFAR4ALDH1A1TSHRLTB4R
SCHEMBL8476326 0.78 FFAR1 (0.53) FFAR1FFAR4ALDH1A1TSHRLTB4R
SCHEMBL13140159 0.78 FFAR1 (0.64) FFAR1FFAR4ALDH1A1TSHRACACB

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed