SCHEMBL8913665

SCHEMBL8913665

CCCCCCCCCCCCCCCCCC1OCC(CBr)O1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
PRKD3 O94806 2/20 0.54
PRKCG P05129 2/20 0.54
PRKCB P05771 2/20 0.54
PRKCA P17252 2/20 0.54
PRKCH P24723 2/20 0.54
PRKCI P41743 2/20 0.54
PRKCE Q02156 2/20 0.54
PRKCQ Q04759 2/20 0.54
PRKCZ Q05513 2/20 0.54
PRKCD Q05655 2/20 0.54
PRKD1 Q15139 2/20 0.54
ENPP2 Q13822 13/20 0.51
LPAR2 Q9HBW0 8/20 0.51
EPHX1 P07099 1/20 0.46

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
SCHEMBL11663356 0.98 ALDH1A1 (0.55) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL28115169 0.87 ALDH1A1 (0.57) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL10975586 0.86 ALDH1A1 (0.72) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7136174 0.86 ALDH1A1 (0.72) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL16942553 0.86 ALDH1A1 (0.72) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL8777442 0.86 ALDH1A1 (0.72) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL11076995 0.85 ALDH1A1 (0.69) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL22960121 0.85 ALDH1A1 (0.63) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL8777394 0.85 ALDH1A1 (0.69) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7832019 0.84 ALDH1A1 (0.68) ALDH1A1PRKD3PRKCGPRKCBPRKCA

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
US-5614548-A TREATING TUMORS AND HIV INFECTION, PROTEIN KINASE C INHIBITORS WAKE FOREST UNIVERSITY (US) 1997-03-25 US disclosed
WO-1990004918-A2 QUATERNARY AMINE CONTAINING ETHER OR ESTER LIPID DERIVATIVES AND THERAPEUTIC COMPOSITIONS WAKE FOREST UNIVERSITY (US) 1990-05-17 WO disclosed