SCHEMBL29664189

SCHEMBL29664189

CCCCOc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccccc2C4(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDK2 Q15119 2/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL9929431 1.00 RECQL (0.33) RECQLALDH1A1LMNACYP2C9CYP2C19
SCHEMBL15954429 0.94 ALDH1A1 (0.32) RECQLALDH1A1LMNACYP2C9CYP2C19
SCHEMBL10102320 0.93 NPSR1 (0.31) ALDH1A1LMNACYP2C9CYP2C19NPSR1
SCHEMBL25604056 0.92 CYP2C9 (0.38) RECQLLMNACYP2C9CYP2C19NPSR1
SCHEMBL2371469 0.92 ALK (0.32) RECQLPDK2HTT
SCHEMBL1680041 0.92 PGR (0.34) ALDH1A1LMNACYP2C9CYP2C19HPGD
SCHEMBL29664183 0.92 PGR (0.34) ALDH1A1LMNACYP2C9CYP2C19HPGD
SCHEMBL9900319 0.90 GAA (0.33) CYP2C9CYP2C19PDK2MAPTHPGD
SCHEMBL3147233 0.90 PGR (0.33) ALDH1A1LMNACYP2C9CYP2C19MAPT
SCHEMBL25716071 0.90 HTT (0.32) LMNAL3MBTL1HTT

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
CN-107253943-B Photochromic compounds and compositions 光学转变公司 2022-05-17 CN disclosed