SCHEMBL3783239

SCHEMBL3783239

C[C@@H]1C[C@@H](C)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
APLNR P35414 1/20 0.35
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
PPP1CA P62136 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PAK1 Q13153 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL3783240 1.00 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL598990 1.00 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL597801 1.00 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL910279 0.85
SCHEMBL1876458 0.84 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL10795697 0.84 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL20381172 0.82 ALDH1A1 (0.35) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL20381165 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24786145 0.80 ALDH1A1 (0.34) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL1358694 0.80 APLNR (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682109-A1 THE USE OF 1-AMINOCYCLOHEXANE DERIVATIVES TO MODIFY DEPOSITION OF FIBRILLOGENIC AS PEPTIDES IN AMYLOIDOPATHIES Merz Pharma GmbH & Co. KGaA (DE) 2006-07-26 EP claimed
WO-2005079779-A1 THE USE OF 1-AMINOCYCLOHEXANE DERIVATIVES TO MODIFY DEPOSITION OF FIBRILLOGENIC Aß PEPTIDES IN AMYLOIDOPATHIES MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-01 WO claimed
US-10403821-B2 Method of making an electrode CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2019-09-03 US disclosed
US-20170194566-A1 METHOD OF MAKING AN ELECTRODE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-07-06 US disclosed
WO-2015177554-A1 METHOD OF MAKING AN ELECTRODE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-11-26 WO disclosed
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 WO disclosed