SCHEMBL1035976

SCHEMBL1035976

C=CCC(C)(C(=O)O)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
HSP90AA1 P07900 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 2/20 0.36
ACHE P22303 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSP90AB1 P08238 1/20 0.35
KIF11 P52732 1/20 0.35
RAB9A P51151 1/20 0.35
AKR1B1 P15121 1/20 0.34

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
SCHEMBL1114876 0.80 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HSP90AA1SMN1; SMN2
SCHEMBL2927687 0.80 ALDH1A1 (0.62) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL14850480 0.80 ALDH1A1 (0.62) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL2732382 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTDP1HTTMAPT
SCHEMBL11437771 0.78 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HSP90AA1HTT
SCHEMBL1275971 0.74 ALDH1A1 (0.44) ALDH1A1TSHRTDP1HSP90AA1HTT
SCHEMBL6710111 0.74 ESR1 (0.39) ALDH1A1TSHRHTTMAPTSMN1; SMN2
SCHEMBL7174365 0.74 ALDH1A1 (0.37) ALDH1A1TSHRHSP90AA1HTTMAPT
SCHEMBL677566 0.73 ALDH1A1 (0.45) ALDH1A1TSHRTDP1HSP90AA1HTT
SCHEMBL1077646 0.73 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSP90AA1HTT

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