SCHEMBL1035978

SCHEMBL1035978

C=CCCC(O)(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 2/20 0.37
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL7385780 0.81 ALDH1A1 (0.67) ALDH1A1TSHRHTTCYP1A2KMT2A
SCHEMBL6944126 0.81 ALDH1A1 (0.67) ALDH1A1TSHRHTTCYP1A2KMT2A
SCHEMBL4362449 0.80 ALDH1A1 (0.33) ALDH1A1TSHRHSP90AA1HSP90AB1
SCHEMBL29336758 0.79 ALDH1A1 (0.50) ALDH1A1TSHRHTTCYP1A2KMT2A
SCHEMBL19419845 0.79 CYP1A2 (0.47) ALDH1A1TSHRHTTCYP1A2KMT2A
SCHEMBL9888403 0.79 SMN1; SMN2 (0.48) ALDH1A1TSHRHTTSMN1; SMN2CYP2C19
SCHEMBL5683703 0.77 ALDH1A1 (0.77) ALDH1A1TSHRHTTCYP1A2KMT2A
SCHEMBL28831712 0.76 ALDH1A1 (0.42) ALDH1A1TSHRHTTHSP90AA1HSP90AB1
SCHEMBL27495429 0.76 HTT (0.43) ALDH1A1TSHRHTTCYP1A2KMT2A
SCHEMBL2240196 0.75 ALDH1A1 (0.46) ALDH1A1TSHRHTTCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377856-B2 Extended drain diesel lubricant formulations AFTON CHEMICAL CORPORATION (US) 2013-02-19 US claimed
US-20110003722-A1 EXTENDED DRAIN DIESEL LUBRICANT FORMULATIONS AFTON CHEMICAL CORPORATION (US) 2011-01-06 US claimed
US-20100292112-A1 EXTENDED DRAIN DIESEL LUBRICANT FORMULATIONS AFTON CHEMICAL CORPORATION (US) 2010-11-18 US claimed
US-20100292112-A1 EXTENDED DRAIN DIESEL LUBRICANT FORMULATIONS AFTON CHEMICAL CORPORATION (US) 2010-11-18 US disclosed