SCHEMBL8064664

SCHEMBL8064664

CC(C)(OC(=O)CC1CCCCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
P2RX7 Q99572 1/20 0.41
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL588154 0.76 EPHX1 (0.41) TDP1L3MBTL1POLB
SCHEMBL3880018 0.76 ALDH1A1 (0.52) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL20954550 0.75 GLA (0.42) L3MBTL1CHRM2CHRM4CHRM1CHRM3
SCHEMBL8738164 0.75 HSD11B1 (0.46) L3MBTL1RAB9ACHRM2CHRM4CHRM1
SCHEMBL42692 0.74 CYP2C19 (0.50) CHRM2CHRM4CHRM1CHRM3POLB
Hydrochloric Acid SCHEMBL27692549 0.74 EPHX1 (0.41) TDP1L3MBTL1POLB
SCHEMBL13704978 0.74 ALDH1A1 (0.50) L3MBTL1CHRM2CHRM4CHRM1CHRM3
SCHEMBL10006319 0.73 L3MBTL1 (0.42) TDP1L3MBTL1POLB
SCHEMBL1931945 0.73 ALDH1A1 (0.42) L3MBTL1CHRM2CHRM1CHRM3POLB
SCHEMBL4563984 0.73 MAPK1 (0.44) CHRM2CHRM4CHRM1CHRM3

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-0901512-B1 DETERGENT COMPOSITION UNILEVER PLC (GB) 2000-06-21 EP disclosed