SCHEMBL10910656

SCHEMBL10910656

CCCC1CCC(C2CCC(c3ccc(OC(=O)c4ccc(CC)cc4)cc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
MAPT P10636 7/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
THRB P10828 2/20 0.39
POLB P06746 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
DGAT1 O75907 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL10910653 1.00 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL11406369 0.96 CYP2C9 (0.60) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL11411864 0.96 CYP2C9 (0.60) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10910678 0.93 CYP2C9 (0.54) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10910666 0.93 CYP2C9 (0.54) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10907931 0.93 CYP2C9 (0.54) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10907936 0.93 CYP2C9 (0.54) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10910674 0.93 CYP2C9 (0.54) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10938649 0.92 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10898816 0.92 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4620938-A Hydroterphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-04 US disclosed
EP-0094487-A1 Hydroterphenyls, their preparation and their use in dielectric liquid crystal material MERCK PATENT GmbH (DE) 1983-11-23 EP disclosed