SCHEMBL9355334

SCHEMBL9355334

CCCCC[C@H]1CC[C@H](C2CCCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.64
SIGMAR1 Q99720 3/20 0.44
LSS P48449 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CCR2 P41597 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EPHX1 P07099 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL6367142 1.00 CYP1A2 (0.64) CYP1A2SIGMAR1LSSPKMHTT
SCHEMBL10747310 0.98 CYP1A2 (0.61) CYP1A2SIGMAR1LSSPKMHTT
SCHEMBL9815173 0.98 CYP1A2 (0.61) CYP1A2SIGMAR1LSSPKMHTT
SCHEMBL9815739 0.98 CYP1A2 (0.61) CYP1A2SIGMAR1LSSPKMHTT
SCHEMBL10435688 0.98 CYP1A2 (0.61) CYP1A2SIGMAR1LSSPKMHTT
SCHEMBL10768312 0.98 CYP1A2 (0.68) CYP1A2SIGMAR1LSSPKMHTT
SCHEMBL10747299 0.98 CYP1A2 (0.61) CYP1A2SIGMAR1LSSPKMHTT
SCHEMBL10747305 0.98 CYP1A2 (0.61) CYP1A2SIGMAR1LSSPKMHTT
SCHEMBL11028916 0.92 CYP1A2 (0.54) CYP1A2SIGMAR1LSSPKMHTT
Biphenyl SCHEMBL2875602 0.91 CYP1A2 (0.71) CYP1A2SIGMAR1LSSHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394417-B1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0394417-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed
EP-0380642-A1 LIQUID CRYSTAL DISPLAY DEVICES AND LIQUID CRYSTAL MEDIUM TO BE USED THEREIN MERCK PATENT GmbH (DE) 1990-08-08 EP disclosed
WO-1990001526-A1 LIQUID CRYSTAL DISPLAY DEVICES AND LIQUID CRYSTAL MEDIUM TO BE USED THEREIN MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-02-22 WO disclosed
EP-0354434-A2 Process for the preparation of rod-like compounds MERCK PATENT GmbH (DE) 1990-02-14 EP disclosed
EP-0338054-A1 CROSS COUPLING OF TITANIUM ORGANYLS MERCK PATENT GmbH (DE) 1989-10-25 EP disclosed
EP-0211030-A1 Ferro-electric smectic liquid crystal materials based on terpenoid derivatives. SECR DEFENCE BRIT (GB) 1987-02-25 EP disclosed
WO-1986004328-A1 TERPENOID DERIVATIVES AND LIQUID CRYSTAL MATERIALS AND DEVICES CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1986-07-31 WO disclosed
US-4410445-A Liquid-crystalline dielectric having a steep characteristic curve MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-10-18 US disclosed