SCHEMBL9306813

SCHEMBL9306813

O=C(O)CC(Sc1nc2ccc(Cl)cc2o1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
HSD17B10 Q99714 2/20 0.41
RAB9A P51151 1/20 0.41
PIK3CG P48736 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MBOAT4 Q96T53 1/20 0.40
PPARA Q07869 1/20 0.40
PSMB8 P28062 1/20 0.39
PSMB5 P28074 1/20 0.39
XDH P47989 1/20 0.39
NLRP3 Q96P20 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.38
S1PR3 Q99500 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL8972438 0.90 LMNA (0.51) POLBHSD17B10KMT2ALMNAMBOAT4
SCHEMBL8972457 0.85 ALDH1A1 (0.40) POLBRAB9AKMT2AMAPTMEN1
SCHEMBL9305093 0.84 MAPT (0.42) POLBRAB9AKMT2ALMNAMAPT
SCHEMBL10888973 0.82 POLB (0.40) POLBRAB9AKMT2ATP53MAPT
SCHEMBL9305523 0.82 LMNA (0.43) HSD17B10RAB9AKMT2ALMNAPPARA
SCHEMBL8972330 0.82 KMT2A (0.52) POLBHSD17B10RAB9AKMT2ALMNA
SCHEMBL9304721 0.81 ALDH1A1 (0.36) POLBHSD17B10RAB9AKMT2ALMNA
SCHEMBL9305817 0.81 MAPT (0.47) POLBRAB9AKMT2ALMNAMAPT
Ammonia Solution, Strong SCHEMBL10889818 0.81 KMT2A (0.51) POLBHSD17B10RAB9AKMT2ALMNA
SCHEMBL10895295 0.81 KMT2A (0.51) POLBHSD17B10RAB9AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed