SCHEMBL18361811

SCHEMBL18361811

CC(C)(CCCn1ccc2c(O)cccc21)[Si](C)(C)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.53
▸ NR3C1 P04150 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ CDK4 P11802 3/20 0.33
▸ CCND1 P24385 3/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CYP24A1 Q07973 4/20 0.32
▸ MCL1 Q07820 2/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ BAD Q92934 1/20 0.31
▸ PPARA Q07869 1/20 0.31

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
SCHEMBL18361805 0.80 PPARG (0.44) MCL1BADPPARA
SCHEMBL4651322 0.77 HTR2C (0.65) HTR2CCDK4CCND1CNR1CNR2
SCHEMBL20337987 0.74 HTR2C (0.53) HTR2CNR3C1PGRNR3C2HTR6
SCHEMBL4652431 0.74 HTR2C (0.69) HTR2CCDK4CCND1HTR6CNR1
SCHEMBL4612283 0.73 HTR2C (0.83) HTR2CHTR6HTR2A
SCHEMBL3245076 0.72 HTR2C (0.66) HTR2CCDK4CCND1HTR6CNR2
SCHEMBL18361806 0.71 LOXL2 (0.39) MCL1BADPPARA
SCHEMBL27587633 0.71 HTR2C (0.56) HTR2CHTR6MCL1S1PR1BAD
SCHEMBL4329033 0.71 HTR2C (0.73) HTR2CHTR6HTR2A
SCHEMBL4323537 0.70 HTR2C (0.63) HTR2CNR3C1PGRNR3C2HTR6

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
WO-2017003862-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-01-05 — — WO disclosed
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