SCHEMBL11277138

SCHEMBL11277138

CCCCCC1CCC(c2ccc(-c3ccc(OC(=O)C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.40
DGAT1 O75907 3/20 0.38
SOAT1 P35610 1/20 0.38
ESR2 Q92731 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
P2RY14 Q15391 2/20 0.36
LSS P48449 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 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
SCHEMBL11289093 0.99 CYP2C9 (0.43) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL11278531 0.99 CYP2C9 (0.43) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL11284307 0.99 CYP2C9 (0.43) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL11282528 0.99 CYP2C9 (0.43) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL11278553 0.99 CYP2C9 (0.43) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL11278679 0.99 CYP2C9 (0.43) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL11280789 0.99 CYP2C9 (0.43) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL11281723 0.96 CYP2C9 (0.45) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL11279803 0.92 CYP2C9 (0.53) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL11274928 0.89 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0022183-B1 DERIVATIVES OF CYCLOHEXYLBIPHENYL, PROCESS FOR THEIR PREPARATION, DIELECTRICS CONTAINING THEM, AND ELECTRON OPTICAL INDICATING ELEMENTS MERCK PATENT GmbH (DE) 1982-06-23 EP disclosed
US-4330426-A Cyclohexylbiphenyls, their preparation and use in dielectrics and electrooptical display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-05-18 US disclosed
EP-0022183-A2 Derivatives of cyclohexylbiphenyl, process for their preparation, dielectrics containing them, and electron optical indicating elements MERCK PATENT GmbH (DE) 1981-01-14 EP disclosed