SCHEMBL6889588

SCHEMBL6889588

COC(=O)c1cccc2c1c1c(O)cc(C)cc1n2Cc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 10/20 0.49
MAPT P10636 5/20 0.49
POLB P06746 1/20 0.46
CCR2 P41597 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.40
PLA2G1B P04054 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL6689196 0.92 GAA (0.47) PLA2G2AMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL6691521 0.91 MAPT (0.49) MAPTPOLBALDH1A1CYP3A4CYP2D6
SCHEMBL6694412 0.91 PLA2G2A (0.56) PLA2G2AMAPTPOLBCCR2ALDH1A1
SCHEMBL6893888 0.90 PLA2G2A (0.47) PLA2G2AMAPTPOLBCCR2ALDH1A1
SCHEMBL6893709 0.88 MAPT (0.47) PLA2G2AMAPTPOLBCCR2ALDH1A1
SCHEMBL6897038 0.88 PLA2G2A (0.46) PLA2G2AMAPTPOLBCCR2ALDH1A1
SCHEMBL6897569 0.88 MAPT (0.40) MAPTPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL6688534 0.88 MAPT (0.45) MAPTPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL6782169 0.88 PLA2G2A (0.56) PLA2G2AMAPTCCR2ALDH1A1CYP1A2
SCHEMBL6895778 0.87 PLA2G2A (0.45) PLA2G2AMAPTPOLBCCR2ALDH1A1

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