SCHEMBL21609934

SCHEMBL21609934

CCOc1ccc(CCC2CCCCC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.41
HPGD P15428 4/20 0.38
APOBEC3G Q9HC16 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
QRFPR Q96P65 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
CACNA2D1 P54289 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL21609933 0.92 CEL (0.35) CELHPGDAPOBEC3GALDH1A1TSHR
SCHEMBL16769034 0.90 CACNA2D1 (0.34) CELHPGDAPOBEC3GALDH1A1TSHR
SCHEMBL9406440 0.88 KDM1A (0.35)
SCHEMBL9406448 0.88 KDM1A (0.35)
SCHEMBL3437363 0.88 KDM1A (0.35) HPGDALDH1A1LMNAMAPT
SCHEMBL9405829 0.88 KDM1A (0.35) HPGDALDH1A1LMNAMAPT
SCHEMBL16769040 0.87 KDM1A (0.33) CELHPGDAPOBEC3GALDH1A1TSHR
SCHEMBL16270061 0.87 ALDH1A1 (0.34) HPGDALDH1A1
SCHEMBL9405819 0.86 CYP1A2 (0.35) HPGDTSHRLMNAMAPTHTT
SCHEMBL3437357 0.86 CYP1A2 (0.35) HPGDTSHRLMNAMAPTHTT

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-10519377-B1 Liquid crystal composition of negative monomer containing cyclopentyl cyclohexenyl and liquid crystal display element or liquid crystal display thereof Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd (CN) 2019-12-31 US disclosed