SCHEMBL21609933

SCHEMBL21609933

CCOc1ccc(CCC2CCC(C3CCCCC3)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.35
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
APOBEC3G Q9HC16 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CACNA2D1 P54289 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 2/20 0.32
KDM4E B2RXH2 1/20 0.32
QRFPR Q96P65 1/20 0.32

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
SCHEMBL16769034 0.99 CACNA2D1 (0.34) CELHPGDALDH1A1APOBEC3GTSHR
SCHEMBL16769040 0.96 KDM1A (0.33) CELHPGDALDH1A1APOBEC3GTSHR
SCHEMBL21609934 0.92 CEL (0.41) CELHPGDALDH1A1APOBEC3GTSHR
SCHEMBL22277545 0.91 KDM1A (0.33) KDM1A
SCHEMBL3437330 0.91 KDM1A (0.33) KDM1A
SCHEMBL13417711 0.91 KDM1A (0.33) KDM1A
SCHEMBL16638478 0.90 ALDH1A1 (0.35) ALDH1A1KDM1A
SCHEMBL17189630 0.88 CEL (0.33) CELHPGDKDM1A
SCHEMBL3437343 0.88 CYP1A2 (0.33) HPGDTSHRMAPTMEN1KMT2A
SCHEMBL22277554 0.87 CNR2 (0.31) MAPTKDM1A

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