SCHEMBL31152500

SCHEMBL31152500

CCCc1c(CCC)c(CC)c2ccccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 8/20 0.50
HPGD P15428 7/20 0.50
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 2/20 0.44
CFTR P13569 2/20 0.43
HSD17B10 Q99714 3/20 0.41
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL6917217 0.84 ALDH1A1 (0.40) KDM4EALDH1A1HPGDCYP1A2GLA
SCHEMBL5678561 0.81 KDM4E (0.53) KDM4EALDH1A1HPGDCYP1A2GLA
SCHEMBL9456640 0.81 HPGD (0.55) KDM4EALDH1A1HPGDGAACFTR
SCHEMBL14533464 0.79 GABRA1 (0.39) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL11305916 0.79 GABRA1 (0.42) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL10695260 0.79 KDM4E (0.58) KDM4EALDH1A1HPGDCYP1A2GLA
SCHEMBL11880150 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDCYP3A4GAA
SCHEMBL10895595 0.77 ALDH1A1 (0.43) KDM4EALDH1A1HPGDCYP1A2GLA
SCHEMBL797469 0.76 KDM4E (0.67) KDM4EALDH1A1HPGDCYP1A2GLA
SCHEMBL6912463 0.76 HTT (0.41) KDM4EALDH1A1HPGDCYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118925457-A Gas dehydration method and gas dehydration device 中国天辰工程有限公司 2024-11-12 CN claimed
CN-118925457-A Gas dehydration method and gas dehydration device 中国天辰工程有限公司 2024-11-12 CN disclosed