SCHEMBL28827243

SCHEMBL28827243

CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(Cl)cc1.[CaH2]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
P2RX7 Q99572 1/20 0.47
ESR1 P03372 1/20 0.46
HPGD P15428 1/20 0.46
CA2 P00918 2/20 0.45
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
PPARA Q07869 1/20 0.45
DGKA P23743 1/20 0.44

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
SCHEMBL6405253 0.98 KMT2A (0.59) KMT2ASMN1; SMN2NPC1RAB9ATDP1
SCHEMBL11295378 0.98 KMT2A (0.59) KMT2ASMN1; SMN2NPC1RAB9ATDP1
SCHEMBL951698 0.98 KMT2A (0.59) KMT2ASMN1; SMN2NPC1RAB9ATDP1
SCHEMBL8676315 0.97 KMT2A (0.57) KMT2ASMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6344321 0.92 KMT2A (0.55) KMT2ASMN1; SMN2NPC1RAB9ATDP1
SCHEMBL17727867 0.91 KMT2A (0.54) KMT2ASMN1; SMN2NPC1RAB9ATDP1
SCHEMBL16212956 0.91 KMT2A (0.54) KMT2ASMN1; SMN2NPC1RAB9ATDP1
SCHEMBL5696715 0.90 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5696854 0.90 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL38661498 0.90 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459794-B vehicle fuel additive composition and use thereof 高化学技术株式会社 2018-04-03 CN disclosed
CN-106459794-A Vehicle fuel additive composition and use thereof 高化学株式会社 2017-02-22 CN disclosed
CN-103261175-B Gather Si hydrogen benzoxazine and two Si hydrogen benzoxazines and the purposes as fuel additive or lubricant additive thereof BASF SE (DE) 2016-05-25 CN disclosed