SCHEMBL22005379

SCHEMBL22005379

Fc1ccc2ccccc2c1C1=CC=C(c2c3ccccc3c(-c3ccc(-c4c(F)ccc5ccccc45)cc3)c3ccccc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.34
CES1 P23141 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABCG2 Q9UNQ0 2/20 0.31
ABCC1 P33527 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
SCHEMBL18165257 0.85 ALDH1A1 (0.44) HPRT1CES1ALDH1A1CYP2A6TSHR
SCHEMBL3153755 0.76 ALDH1A1 (0.46) HPRT1CES1ALDH1A1CYP2A6TSHR
SCHEMBL7783885 0.74 CES1 (0.41) HPRT1CES1ALDH1A1CYP2A6TSHR
SCHEMBL29213863 0.74 ESR1 (0.46) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL7033272 0.70 TRPV6 (0.39) HPRT1CES1ALDH1A1CYP2A6TSHR
SCHEMBL21169393 0.70 CYP1B1 (0.39) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL22544975 0.66 MEN1 (0.41) ALDH1A1HSD17B10CYP1A2CYP1A1CYP1B1
SCHEMBL12019894 0.65 PIM1 (0.45) HPRT1CYP2A6CYP1A2CYP1A1CYP1B1
SCHEMBL7719797 0.64 DNMT1 (0.46) HPRT1CES1ALDH1A1CYP2A6TSHR
SCHEMBL28596672 0.64 DNMT1 (0.42) HPRT1CES1ALDH1A1CYP2A6TSHR

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
EP-3654395-A1 ORGANIC LIGHT EMITTING DIODE HAVING HIGH EFFICIENCY SFC Co., Ltd. (KR) 2020-05-20 EP disclosed