SCHEMBL7767034

SCHEMBL7767034

C=CCC(C)(C(=O)O)C1CCCCC1.O=C(O)CNc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.38
GLA P06280 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 2/20 0.36
POLB P06746 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HPGD P15428 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
CCKAR P32238 1/20 0.35
CCKBR P32239 1/20 0.35
ATM Q13315 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL432459 0.81 CCR2 (0.37) EPHX1ALDH1A1TSHRKEAP1NFE2L2
SCHEMBL5013144 0.76 CHRM2 (0.37) ALDH1A1TSHRPOLBKEAP1NFE2L2
SCHEMBL7767037 0.71 EPHX2 (0.45) EPHX1EPHX2HPGDCCKBRATM
Hydrochloric Acid SCHEMBL7132564 0.70 EPHX1 (0.54) EPHX1ALDH1A1EPHX2HPGDRAB9A
Allylamine SCHEMBL11599012 0.69 PKM (0.43) ALDH1A1RAB9ASMN1; SMN2GAAPKM
Ethylene SCHEMBL8097301 0.68 ABAT (0.50) EPHX1ALDH1A1TSHREPHX2HPGD
Hydrochloric Acid SCHEMBL3069393 0.68 ABAT (0.53) EPHX1ALDH1A1TSHREPHX2HPGD
SCHEMBL7785939 0.68 ABAT (0.53) EPHX1ALDH1A1TSHREPHX2HPGD
Benzene SCHEMBL27714747 0.68 ABAT (0.53) EPHX1ALDH1A1TSHREPHX2HPGD
SCHEMBL1330698 0.68 ABAT (0.53) EPHX1ALDH1A1TSHREPHX2HPGD

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
EP-1112058-A1 USE OF CYCLIC CARBONATES AS MOISTURISERS Cognis Deutschland GmbH (DE) 2001-07-04 EP disclosed
WO-2000015186-A1 USE OF CYCLIC CARBONATES AS MOISTURISERS COGNIS DEUTSCHLAND GMBH (DE) 2000-03-23 WO disclosed