SCHEMBL9485689

SCHEMBL9485689

O=C=C1C2C(C(=O)O)C2C(=O)CN1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 4/20 0.42
FABP5 Q01469 4/20 0.42
PREP P48147 2/20 0.38
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR2C P28335 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL27733749 0.85 ALDH1A1 (0.38) PREPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9180507 0.81 FABP7 (0.40) FABP7FABP5PREPALDH1A1NPC1
SCHEMBL5871291 0.69 NPC1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL13386604 0.68 ALDH1A1 (0.55) ALDH1A1
SCHEMBL6262331 0.68 NPC1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL7448545 0.66 SMN1; SMN2 (0.53) PREPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29191411 0.65 SMN1; SMN2 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL28775111 0.65 ALDH1A1 (0.46) PREPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7543136 0.65 MEN1 (0.36) PREPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7415044 0.65 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HTR2C

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
US-5266569-A Azatricyclo carboxylic acids useful as anti-bacterial agents PFIZER INC. (US) 1993-11-30 US disclosed
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 EP disclosed