SCHEMBL8973146

SCHEMBL8973146

O=C(O)CC(Sc1nc2cc(C(=O)O)ccc2o1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MBOAT4 Q96T53 1/20 0.50
ELANE P08246 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43
PRTN3 P24158 1/20 0.42
F2 P00734 1/20 0.39
CTSG P08311 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 1/20 0.37
FOLH1 Q04609 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9305346 0.90 HPGD (0.41) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL9304882 0.87 RAB9A (0.42) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL10893433 0.87 SIRT5 (0.41) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL9307864 0.87 NPC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL10892216 0.85 HPGD (0.44) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL9306165 0.85 TP53 (0.44) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL8972664 0.85 SMN1; SMN2 (0.47) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL8972438 0.85 LMNA (0.51) HPGDSMN1; SMN2MBOAT4CYP1A2CYP2C19
SCHEMBL9305598 0.82 ALDH1A1 (0.42) NPC1RAB9AELANEKMT2AMEN1
SCHEMBL9306890 0.82 CETP (0.42) HDAC6

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
US-5549847-A STIRRING A FILTER CAKE OF CORROSION INHIBITOR WITH DISPERSANT AND THICKENER; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
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