SCHEMBL10990899

SCHEMBL10990899

COc1ccc2c(c1)c(C(C(=O)O)N1CCOCC1)c(C)n2Cc1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 3/20 0.57
TSHR P16473 3/20 0.57
CYP2C19 P33261 3/20 0.57
PMP22 Q01453 3/20 0.57
MEN1 O00255 2/20 0.57
PKM P14618 2/20 0.57
NFKB1 P19838 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
RGS12 O14924 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
GNAI1 P63096 1/20 0.57
HIF1A Q16665 1/20 0.57
PLA2G2A P14555 5/20 0.54
PTGS2 P35354 3/20 0.49
CNR2 P34972 3/20 0.47

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
SCHEMBL10677598 0.84 CNR2 (0.63) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8875796 0.82 LMNA (0.68) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3003247 0.78 POLB (0.62) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8643272 0.77 LMNA (0.62) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3246579 0.77 LMNA (0.63) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
Morpholine SCHEMBL10990896 0.74 LMNA (0.80) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3248500 0.74 LMNA (0.74) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1322507 0.73 LMNA (1.00) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL2008020 0.73 PLA2G2A (0.69) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL11190363 0.72 PLA2G2A (0.63) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4551475-A ANTIINFLAMMATORY AGENTS, ANALGESICS CIBA-GEIGY CORPORATION (US) 1985-11-05 US disclosed