SCHEMBL9648002

SCHEMBL9648002

CCCCCCCC/C=C/C(O)CCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.61
GPR132 Q9UNW8 1/20 0.61
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 4/20 0.55
TRPA1 O75762 1/20 0.55
DDAH1 O94760 1/20 0.55
GAPDH P04406 1/20 0.55
SPHK2 Q9NRA0 4/20 0.54
SPHK1 Q9NYA1 4/20 0.54
CETP P11597 3/20 0.54
GMNN O75496 2/20 0.53
LMNA P02545 2/20 0.53
GLA P06280 2/20 0.53
POLB P06746 2/20 0.53
THRB P10828 2/20 0.53
MAPK1 P28482 2/20 0.53
CXCR5 P32302 2/20 0.53
CCR6 P51684 2/20 0.53

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
SCHEMBL31619433 1.00 PPARG (0.61) PPARGGPR132MEN1KMT2ACYP3A4
SCHEMBL9648008 1.00 PPARG (0.61) PPARGGPR132MEN1KMT2ACYP3A4
SCHEMBL11853316 1.00 PPARG (0.61) PPARGGPR132MEN1KMT2ACYP3A4
SCHEMBL11855461 1.00 PPARG (0.61) PPARGGPR132MEN1KMT2ACYP3A4
SCHEMBL2264995 1.00 PPARG (0.61) PPARGGPR132MEN1KMT2ACYP3A4
SCHEMBL812290 1.00 PPARG (0.61) PPARGGPR132MEN1KMT2ACYP3A4
SCHEMBL11853321 1.00 PPARG (0.61) PPARGGPR132MEN1KMT2ACYP3A4
SCHEMBL812291 1.00 PPARG (0.61) PPARGGPR132MEN1KMT2ACYP3A4
SCHEMBL11855470 1.00 PPARG (0.61) PPARGGPR132MEN1KMT2ACYP3A4
SCHEMBL28824206 1.00 PPARG (0.61) PPARGGPR132MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5101077-A Allylic Alcohol, Conjugated Diene, Group 8 Metal Complex Catalyst SHELL OIL COMPANY (US) 1992-03-31 US disclosed
US-4131630-A Isomerization process PHILLIPS PETROLEUM COMPANY (US) 1978-12-26 US disclosed
US-4117016-A PROCESS FOR STRUCTURAL MODIFICATION OF UNSATURATED ALCOHOLS PHILLIPS PETROLEUM COMPANY (US) 1978-09-26 US disclosed
US-4087472-A Isomerization process PHILLIPS PETROLEUM COMPANY (US) 1978-05-02 US disclosed
US-4053536-A CONTACTING WITH MOLYBDENUM B-DIKETONATES OR CARBOXYLATES PHILLIPS PETROLEUM COMPANY (US) 1977-10-11 US disclosed