Cyclohexane

Cyclohexane

SCHEMBL9502180

C1CCCCC1.Cc1ccc(OC(=O)O)cc1.NC(=O)O

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
ESR1 P03372 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL577352 0.88 LMNA (0.74) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL11846693 0.86 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL27449524 0.86 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8986478 0.84 LMNA (0.68) LMNAUSP2ALDH1A1KMT2AL3MBTL1
SCHEMBL8848224 0.82 LMNA (0.65) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL473211 0.77 LMNA (0.64) LMNAPRSS1ACRUSP2CYP1A2
SCHEMBL465132 0.76 LMNA (0.52) LMNAALDH1A1KMT2AGAAMAPT
P-Xylene SCHEMBL11562997 0.76 ALDH1A1 (0.60) LMNAALDH1A1KMT2AGAA
SCHEMBL12289276 0.76 LMNA (0.57) LMNAALDH1A1KMT2AL3MBTL1GAA
Acetic Acid SCHEMBL11492381 0.75 LMNA (0.91) LMNAALDH1A1KMT2AL3MBTL1GAA

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-0393350-B1 PROCESS FOR THE PREPARATION OF AMINES BASF Aktiengesellschaft (DE) 1993-05-26 EP disclosed