SCHEMBL6893709

SCHEMBL6893709

COC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
POLB P06746 2/20 0.47
PLA2G2A P14555 7/20 0.46
CCR2 P41597 1/20 0.44
PLA2G1B P04054 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
PGR P06401 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK10 P53779 1/20 0.41
AR P10275 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL6897038 0.94 PLA2G2A (0.46) MAPTPOLBPLA2G2ACCR2PLA2G1B
SCHEMBL6694644 0.94 AR (0.45) MAPTPLA2G2AALDH1A1SMN1; SMN2AR
SCHEMBL6894303 0.92 DRD2 (0.44) MAPTPOLBPLA2G2APLA2G1BALDH1A1
SCHEMBL6690879 0.92 DRD2 (0.47) MAPTPOLBPLA2G2AALDH1A1AR
SCHEMBL6896588 0.92 PLA2G2A (0.44) MAPTPLA2G2APLA2G1BALDH1A1HPGD
SCHEMBL6885056 0.89 MAPT (0.46) MAPTPOLBPLA2G2APLA2G1BALDH1A1
SCHEMBL6898378 0.89 ACMSD (0.39) MAPTPLA2G2APLA2G1BALDH1A1HPGD
SCHEMBL6892182 0.89 DRD2 (0.43) MAPTPOLBPLA2G2AALDH1A1GAA
SCHEMBL6694412 0.89 PLA2G2A (0.56) MAPTPOLBPLA2G2ACCR2PLA2G1B
SCHEMBL6889569 0.88 MAPK8 (0.43) MAPTPOLBPLA2G2APLA2G1BALDH1A1

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-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed