SCHEMBL11518065

SCHEMBL11518065

COc1ccc2c(c1)c(CCN1CCCCC1CCCC1CCCCC1)c(C)n2C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
HIF1A Q16665 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PLA2G2A P14555 1/20 0.53
CNR2 P34972 2/20 0.50
CNR1 P21554 1/20 0.50
AKR1C3 P42330 5/20 0.49
AKR1C2 P52895 4/20 0.49
PTGS1 P23219 2/20 0.49

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
SCHEMBL11519530 0.95 LMNA (0.56) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL11521903 0.93 PTGS2 (0.54) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL11519435 0.91 LMNA (0.57) PTGS2LMNACYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL11517541 0.90 LMNA (0.56) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL11521766 0.90 LMNA (0.57) PTGS2LMNACYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL11520467 0.88 PTGS2 (0.55) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL11523712 0.87 LMNA (0.52) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL11522980 0.85 PTGS2 (0.52) PTGS2LMNACYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL11522517 0.85 CNR2 (0.59) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL11518964 0.85 LMNA (0.62) PTGS2LMNACYP1A2CYP2D6CYP2C9

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-4160862-A ANTIINFLAMMATORY STERLING DRUG INC. (US) 1979-07-10 US disclosed
US-4021431-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-05-03 US disclosed