SCHEMBL10628014

SCHEMBL10628014

C=C(CC)C1CC=CCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL11805932 0.78 ALDH1A1 (0.36) ALDH1A1ALOX15MEN1MAPTHTT
SCHEMBL11805936 0.78 ALDH1A1 (0.36) ALDH1A1ALOX15MEN1MAPTHTT
SCHEMBL9383228 0.78 ALDH1A1 (0.33) ALDH1A1ALOX15MEN1MAPTHTT
Acetic Acid SCHEMBL9386863 0.77 ALDH1A1 (0.35) ALDH1A1ALOX15MEN1MAPTHTT
SCHEMBL7992494 0.77 ALDH1A1 (0.35) ALDH1A1ALOX15MEN1MAPTHTT
Methoxymethane SCHEMBL9387057 0.76 TDP1 (0.33) ALDH1A1ALOX15MEN1MAPTHTT
SCHEMBL9387058 0.76 TDP1 (0.35) ALDH1A1ALOX15MEN1MAPTHTT
SCHEMBL2167325 0.76
SCHEMBL5278699 0.75 ALDH1A1 (0.41) ALDH1A1ALOX15MEN1MAPTHTT
SCHEMBL20034368 0.75 ALDH1A1 (0.35) ALDH1A1ALOX15MEN1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4748290-A ALUMINA-SUPPORTED NICKEL BORIDE PHILLIPS PETROLEUM COMPANY (US) 1988-05-31 US disclosed
US-4734534-A ALUMINA-SUPPORTED NICKEL BORIDE HYDROGENATION CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1988-03-29 US disclosed
US-4659687-A ALUMINA SUPPORT NICKEL ARSENATE-BORIDE CATALYST PHILLIPS PETROLEUM COMPANY (US) 1987-04-21 US disclosed