SCHEMBL11332829

SCHEMBL11332829

CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
EBP Q15125 1/20 0.42
DNM1 Q05193 2/20 0.40
GAA P10253 1/20 0.40
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39
PKM P14618 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KCNN4 O15554 1/20 0.39

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
SCHEMBL7773736 1.00 SIGMAR1 (0.42) SIGMAR1EBPDNM1GAASCN5A
SCHEMBL5425018 0.98 SIGMAR1 (0.41) SIGMAR1EBPDNM1GAASCN5A
SCHEMBL5180404 0.98 SIGMAR1 (0.42) SIGMAR1EBPDNM1GAASCN5A
SCHEMBL5421959 0.94 SIGMAR1 (0.40) SIGMAR1EBPGAASCN5ASCN9A
SCHEMBL6560515 0.91 KIF11 (0.42) SIGMAR1MEN1KMT2AKCNN4
SCHEMBL9447607 0.87 KIF11 (0.41) SIGMAR1MEN1KMT2AKCNN4
SCHEMBL29151818 0.87 SIGMAR1 (0.44) SIGMAR1EBPDNM1MEN1KMT2A
SCHEMBL3608055 0.87 SIGMAR1 (0.44) SIGMAR1EBPDNM1MEN1KMT2A
Hydrochloric Acid SCHEMBL5370098 0.87 TAAR1 (0.42) SIGMAR1EBPGAASCN5ASCN9A
SCHEMBL10442974 0.84 CYP2C19 (0.49) GAASCN5ASCN9ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033435-A2 Use of alkylcyclohexane as essential ingredient of lubricating oils for combustion engines BASF Aktiengesellschaft (DE) 1981-08-12 EP disclosed