SCHEMBL3886256

SCHEMBL3886256

O=C(O)CCCc1c[nH]c2ccccc12.[LiH]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 6/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
KDM4E B2RXH2 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HPGD P15428 3/20 0.60
RECQL P46063 2/20 0.60
MAPT P10636 4/20 0.59
NPC1 O15118 1/20 0.59
GAA P10253 1/20 0.58
MC4R P32245 1/20 0.57
MC3R P41968 1/20 0.57
HTT P42858 1/20 0.57
PDPK1 O15530 1/20 0.57

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
SCHEMBL27551570 0.98 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29363142 0.98 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29608427 0.98 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL35884 0.98 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3886754 0.97 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
Lithium SCHEMBL3886262 0.97 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
Ammonia Solution, Strong SCHEMBL28825522 0.97 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
Ammonia Solution, Strong SCHEMBL11124631 0.97 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3886762 0.97 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL584104 0.97 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2

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-7572303-B2 A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability OCTANE INTERNATIONAL, LTD. (US) 2009-08-11 US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed