SCHEMBL11081087

SCHEMBL11081087

O=C(Cl)C(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 8/20 0.53
CYP1A2 P05177 1/20 0.47
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
ALPL P05186 1/20 0.43
POLB P06746 1/20 0.43
ALPG P10696 1/20 0.43
MDM2 Q00987 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CPA3 P15088 2/20 0.42
FOLH1 Q04609 1/20 0.42
CPB1 P15086 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
SCHEMBL2555562 0.87 CPA1 (0.59) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL11856157 0.84 CPA1 (0.51) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL1305447 0.84 CPA1 (0.51) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL28007680 0.82 MDM2 (0.58) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL27623586 0.80 CPA1 (0.47) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL28210499 0.80 CPA1 (0.47) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL1897012 0.77 CPA1 (0.45) CPA1CYP1A2NPC1TP53RAB9A
SCHEMBL5682403 0.76 CPA1 (0.47) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL714764 0.75 CPA1 (0.53) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL8040411 0.74 CYP1A2 (0.68) CPA1CYP1A2ALPIPKMPTGS1

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-4442296-A LARVICIDES FMC CORPORATION (US) 1984-04-10 US disclosed
US-4408057-A 4-Heterocyclic-substituted-2-indanyl alcohols and insecticidal ester derivatives FMC CORPORATION (US) 1983-10-04 US disclosed
US-4368205-A 4-Heterocyclic-substituted-2-indanyl alcohols and insecticidal ester derivatives FMC CORPORATION (US) 1983-01-11 US disclosed