SCHEMBL6895052

SCHEMBL6895052

COC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1ccccc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
HSP90AA1 P07900 7/20 0.41
PTPN1 P18031 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL6895138 0.93 HSP90AA1 (0.43) PLA2G1BPLA2G2AHSP90AA1MAPTNPSR1
SCHEMBL6694644 0.91 AR (0.45) PLA2G2AMAPTALDH1A1TSHRTHRB
SCHEMBL6897168 0.90 PLA2G1B (0.44) PLA2G1BPLA2G2AHSP90AA1MAPTALDH1A1
SCHEMBL6898378 0.90 ACMSD (0.39) PLA2G1BPLA2G2AMAPTALDH1A1THRB
SCHEMBL6888834 0.90 HSP90AA1 (0.41) PLA2G1BPLA2G2AHSP90AA1MAPTALDH1A1
SCHEMBL6891733 0.90 MAPT (0.43) PLA2G2AHSP90AA1MAPTALDH1A1TSHR
SCHEMBL6690226 0.90 PLA2G2A (0.44) PLA2G1BPLA2G2AHSP90AA1MAPTALDH1A1
SCHEMBL6896588 0.89 PLA2G2A (0.44) PLA2G1BPLA2G2AMAPTALDH1A1TSHR
SCHEMBL6776217 0.88 PLA2G2A (0.44) PLA2G1BPLA2G2AHSP90AA1PTPN1
SCHEMBL6894747 0.88 PLA2G2A (0.44) PLA2G1BPLA2G2AMAPTALDH1A1CYP1A2

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