SCHEMBL9858722

SCHEMBL9858722

CCCCCCCCCCCCCCCCNC(C)(O)CC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.44
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
GBA1 P04062 3/20 0.38
CASP2 P42575 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL7567096 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL1176825 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL11118158 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
Hydrochloric Acid SCHEMBL11140223 0.98 EPHX1 (0.43) EPHX1TSHRALDH1A1ADH1BADH1C
Hydrochloric Acid SCHEMBL3692666 0.98 EPHX1 (0.43) EPHX1TSHRALDH1A1ADH1BADH1C
Water SCHEMBL8995196 0.98 EPHX1 (0.43) EPHX1TSHRALDH1A1ADH1BADH1C
Hydrochloric Acid SCHEMBL5617921 0.98 EPHX1 (0.43) EPHX1TSHRALDH1A1ADH1BADH1C
Hydrochloric Acid SCHEMBL9719671 0.98 EPHX1 (0.43) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL7563555 0.98 ALDH1A1 (0.42) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL7565770 0.91 TSHR (0.36) EPHX1TSHRALDH1A1ADH1BADH1C

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-0335115-B1 PHARMACEUTICAL AND COSMETICAL COMPOSITIONS ON THE BASE OF BENZOYL PEROXIDE AND QUATERNARY AMMONIUM SALTS L'OREAL (FR) 1991-11-06 EP claimed
EP-0034126-B1 COSMETIC AND DERMATOLOGICAL COMPOSITIONS FOR SHAVING THE SKIN Maggesi, Luigi (IT) 1984-07-04 EP claimed