SCHEMBL28445672

SCHEMBL28445672

Oc1ccc(C(F)(C(F)F)C(F)(F)F)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.46
TSHR P16473 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
BCL2L1 Q07817 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PELI1 Q96FA3 1/20 0.39
PTPN5 P54829 2/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
ALOX5 P09917 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL3680346 0.80 BACE1 (0.52) BACE1HSD17B10ALDH1A1HPGDBCL2L1
SCHEMBL16429040 0.80 BACE1 (0.56) BACE1TSHRHSD17B10ALDH1A1HPGD
SCHEMBL23174685 0.75 ESR1 (0.52)
SCHEMBL28454387 0.75 HSD17B1 (0.35) HSD17B10ALDH1A1HPGDCYP3A4CYP2C19
SCHEMBL1243947 0.73 ALDH1A1 (0.52) HSD17B10ALDH1A1HPGDLMNAALOX15
SCHEMBL28445611 0.73 TSHR (0.41) TSHRHSD17B10
SCHEMBL23174684 0.73 ALOX15 (0.46) TSHRHSD17B10ALDH1A1HPGDCYP3A4
SCHEMBL136305 0.73 BACE1 (0.56) BACE1HSD17B10ALDH1A1HPGDBCL2L1
SCHEMBL3418225 0.73 BACE1 (0.56) BACE1HSD17B10ALDH1A1HPGDBCL2L1
SCHEMBL7916383 0.73 BACE1 (0.56) BACE1HSD17B10ALDH1A1HPGDBCL2L1

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-105929642-B Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, and method of manufacturing electrophotographic photosensitive member 佳能株式会社 2020-09-01 CN disclosed