SCHEMBL11049895

SCHEMBL11049895

CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C.CCCCCCCCCCCCOP(OCCCCCCCCCCCC)OCCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.39
OPRM1 P35372 1/20 0.38
SPHK1 Q9NYA1 2/20 0.36
LMNA P02545 2/20 0.36
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
SMPD1 P17405 2/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL31300195 1.00 DNM1 (0.39) DNM1OPRM1SPHK1LMNAADH1B
SCHEMBL30659942 1.00 DNM1 (0.39) DNM1OPRM1SPHK1LMNAADH1B
SCHEMBL4539793 1.00 DNM1 (0.39) DNM1OPRM1SPHK1LMNAADH1B
SCHEMBL27888041 1.00 DNM1 (0.39) DNM1OPRM1SPHK1LMNAADH1B
SCHEMBL9621588 1.00 DNM1 (0.39) DNM1OPRM1SPHK1LMNAADH1B
SCHEMBL31124531 1.00 DNM1 (0.39) DNM1OPRM1SPHK1LMNAADH1B
SCHEMBL29376824 0.91 LMNA (0.42) LMNA
SCHEMBL99874 0.91 LMNA (0.42) LMNA
SCHEMBL97786 0.91 LMNA (0.42) LMNA
SCHEMBL29019744 0.91 LMNA (0.42) LMNA

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-4481375-A OLEFINS, UNSATURATED COMPOUNDS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1984-11-06 US disclosed
US-4215066-A Binuclear rhodium complex as a hydroformylation and hydrogenation catalyst PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1980-07-29 US disclosed