SCHEMBL9958443

SCHEMBL9958443

OCCCCCCCC(C1CCCCC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.43
TP53 P04637 3/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
CYP2D6 P10635 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
MLNR O43193 1/20 0.34
ABCB11 O95342 1/20 0.34
EGFR P00533 1/20 0.34
FYN P06241 1/20 0.34
CHRM2 P08172 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
SCHEMBL11668319 0.91 EPHX1 (0.46) EPHX1TP53LMNAMAPTSMN1; SMN2
SCHEMBL29037027 0.81 EPHX1 (0.50) EPHX1TP53LMNAMAPTSMN1; SMN2
SCHEMBL11591769 0.81 TP53 (0.48) EPHX1TP53LMNAMAPTSMN1; SMN2
SCHEMBL9766174 0.81 TP53 (0.48) EPHX1TP53LMNAMAPTSMN1; SMN2
SCHEMBL28508056 0.79 EPHX1 (0.48) EPHX1TP53LMNAMAPTSMN1; SMN2
SCHEMBL9760861 0.79 PREP (0.32)
SCHEMBL11440912 0.78 EPHX1 (0.43) EPHX1CYP1A2TSHRSIGMAR1SHBG
SCHEMBL17529700 0.78 EPHX1 (0.43) EPHX1TP53LMNAMAPTSMN1; SMN2
SCHEMBL2593250 0.78 EPHX1 (0.43) EPHX1CYP1A2TSHRSIGMAR1SHBG
SCHEMBL11440474 0.78 EPHX1 (0.43) EPHX1CYP1A2TSHRSIGMAR1SHBG

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-2087067-B1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed