SCHEMBL9307864

SCHEMBL9307864

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MBOAT4 Q96T53 1/20 0.52
ELANE P08246 3/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
PRTN3 P24158 1/20 0.43
F2 P00734 1/20 0.40
CTSG P08311 1/20 0.40
ALPL P05186 1/20 0.39
ALPG P10696 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 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
SCHEMBL8973146 0.87 NPC1 (0.50) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL10866313 0.84 NPC1 (0.49) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL8972725 0.81 KMT2A (0.55) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL11119157 0.80 RAB9A (0.68) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL9305346 0.78 HPGD (0.41) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL7126901 0.77 NPC1 (0.55) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL9304882 0.75 RAB9A (0.42) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL10893433 0.75 SIRT5 (0.41) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL29387974 0.74 RAB9A (0.52) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL8973151 0.74 RAB9A (0.42) NPC1RAB9AHPGDSMN1; SMN2MBOAT4

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 5 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
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed