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SCHEMBL18102121

SCHEMBL18102121

COc1cc2c3c(c4c(c2cc1N1CCCCC1)-c1ccc(-c2ccccc2C(F)(F)F)cc1C4(C)C)C=CC(c1ccc(O)cc1)(c1ccc(N2CCOCC2)cc1)O3

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL18099432 0.95 S1PR1 (0.34) S1PR1ALDH1A1LMNATP53CYP1A2
SCHEMBL18102181 0.95 S1PR1 (0.34) S1PR1ALDH1A1LMNATP53CYP1A2
SCHEMBL31337373 0.95 S1PR1 (0.34) S1PR1ALDH1A1LMNATP53CYP1A2
SCHEMBL8510586 0.92 MCHR1 (0.33) S1PR1ALDH1A1LMNATP53CYP1A2
SCHEMBL1186786 0.91 S1PR1 (0.36) S1PR1ALDH1A1LMNATP53CYP1A2
SCHEMBL18102226 0.91 PIK3CA (0.31) ALDH1A1LMNA
SCHEMBL1188243 0.90 ALDH1A1 (0.31) S1PR1ALDH1A1HSD17B10
SCHEMBL18099449 0.89 MCHR1 (0.34) —
SCHEMBL8510919 0.87 FFAR4 (0.32) S1PR1
SCHEMBL9289952 0.87 HTR1A (0.30) —

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-20160279886-A1 METHOD OF FORMING A PHOTOCHROMIC SEGMENTED MULTIFOCAL LENS TRANSITIONS OPTICAL, INC. 2016-09-29 — — US disclosed