SCHEMBL2877862

SCHEMBL2877862

BrCCCCCCC(Br)Cc1ccc2ccccc2c1CC(Br)CCCCCCBr

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
CTNNB1 P35222 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
SCHEMBL2878597 1.00 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19HSD17B10ALDH1A1
SCHEMBL2880458 0.99 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19HSD17B10ALDH1A1
SCHEMBL2880489 0.94 HSD17B10 (0.34) CYP1A2CYP2C9CYP2C19HSD17B10ALDH1A1
SCHEMBL2877962 0.88 HSD17B10 (0.36) CYP1A2CYP2C9CYP2C19HSD17B10ALDH1A1
SCHEMBL6681399 0.84 CTNNB1 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL6685436 0.84 CTNNB1 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL6684264 0.82 CTNNB1 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL2878045 0.82 HSD17B10 (0.38) CYP1A2CYP2C9CYP2C19HSD17B10ALDH1A1
SCHEMBL2876407 0.78 FOLH1 (0.30)
SCHEMBL2878198 0.78 FOLH1 (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-20100151392-A1 ANTIREFLECTIVE COATING COMPOSITIONS RAHMAN M DALIL 2010-06-17 US disclosed