SCHEMBL7015121

SCHEMBL7015121

CC(=O)c1cc(C(=O)O)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
SRD5A2 P31213 2/20 0.48
TP53 P04637 2/20 0.48
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 1/20 0.44
AKR1C3 P42330 5/20 0.44
AKR1C2 P52895 5/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C1 Q04828 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL3791575 0.88 HDAC8 (0.48) TSHRALDH1A1MAPTTP53KMT2A
SCHEMBL69880 0.85 TSHR (0.68) TSHRALDH1A1MAPTSRD5A2TP53
SCHEMBL6240701 0.84 TSHR (0.61) TSHRALDH1A1MAPTSRD5A2TP53
Hydrochloric Acid SCHEMBL9618407 0.83 TSHR (0.65) TSHRALDH1A1MAPTSRD5A2TP53
SCHEMBL14555367 0.82 HDAC8 (0.41) TSHRALDH1A1MAPTTP53KMT2A
SCHEMBL13544662 0.82 BCAT2 (0.47) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL7898447 0.81 KDM4E (0.52) TSHRALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL4657653 0.79 MEN1 (0.56) TSHRALDH1A1MAPTSRD5A2TP53
SCHEMBL15369488 0.79 KDM4E (0.55) TSHRALDH1A1MAPTTP53AKR1C3
SCHEMBL15507330 0.79 KDM4E (0.60) TSHRALDH1A1MAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
CN-1324359-A Tricyclic carboxamides SMITHKLINE BEECHAM PLC (GB) 2001-11-28 CN disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed