Sugi Predict

Sugi Predict / Compounds / SCHEMBL9575732

SCHEMBL9575732

SCHEMBL9575732

CCCCCCCCCCCCCC(=O)NC(CP(=O)(OCC)OCC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ ACER2 Q5QJU3 1/20 0.54
▸ CERT1 Q9Y5P4 3/20 0.50
▸ SMPD2 O60906 2/20 0.49
▸ SMPD1 P17405 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL9215539 0.85 ASAH1 (0.59) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL7618284 0.83 ASAH1 (0.56) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL6568520 0.83 ASAH1 (0.51) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL6568525 0.82 ASAH1 (0.55) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL6570354 0.82 LPAR3 (0.58) ASAH1ALDH1A1ACER2SMPD2SMPD1
SCHEMBL6568576 0.82 ASAH1 (0.55) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL6570228 0.82 ASAH1 (0.55) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL6570288 0.82 LPAR3 (0.58) ASAH1ALDH1A1ACER2SMPD2SMPD1
SCHEMBL6569866 0.82 ASAH1 (0.55) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL7618294 0.82 LPAR3 (0.58) ASAH1ALDH1A1ACER2SMPD2SMPD1

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-5266576-A Anticarcinogenic agents ADIR ET COMPAGNIE (FR) 1993-11-30 — — US disclosed