SCHEMBL61454

SCHEMBL61454

COc1ccc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
CA2 P00918 5/20 0.45
CA1 P00915 3/20 0.44
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MAPT P10636 2/20 0.38
ALOX12 P18054 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36

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
SCHEMBL31487092 1.00 TP53 (0.46) TP53LMNACYP3A4HPGDALOX15
SCHEMBL2308071 0.84 LMNA (0.46) TP53LMNACYP3A4HPGDALOX15
SCHEMBL23542397 0.83 LMNA (0.48) TP53LMNACYP3A4HPGDALOX15
SCHEMBL1054064 0.82 HIF1A (0.50) TP53LMNACYP3A4HPGDALOX15
SCHEMBL10906475 0.78 CA2 (0.56) LMNAALOX15CA2CA1ALDH1A1
SCHEMBL2955217 0.78 CA2 (0.43) TP53LMNACYP3A4HPGDALOX15
SCHEMBL28474445 0.78 LMNA (0.38) TP53LMNACYP3A4HPGDALOX15
SCHEMBL9510317 0.77 CA2 (0.38) CA2CA1ALDH1A1GAAGABRA1
SCHEMBL5587534 0.76 ALOX15 (0.55) TP53LMNACYP3A4HPGDALOX15
SCHEMBL22090225 0.76 CYP3A4 (0.46) TP53LMNACYP3A4HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129521-B2 One pot synthesis of tetrazole derivatives of rapamycin ABBOTT LABORATORIES (US) 2012-03-06 US claimed
WO-2006078123-A1 POLYMERIZATION INHIBITOR FOR 1,3-BUTADIENE AND A METHOD OF INHIBITING POLYMERIZATION OF 1,3-BUTADIENE BY IMPUTING THEREOF YEOCHUN NCC CO., LTD. (KR) 2006-07-27 WO claimed
EP-2426098-B1 PROCESS FOR PRODUCING POLYHYDRIC PHENOL MITSUI CHEMICALS INC (JP) 2015-01-21 EP disclosed
US-20070032581-A1 Additive mixtures CIBA CORPORATION 2007-02-08 US disclosed
WO-2006078123-A1 POLYMERIZATION INHIBITOR FOR 1,3-BUTADIENE AND A METHOD OF INHIBITING POLYMERIZATION OF 1,3-BUTADIENE BY IMPUTING THEREOF YEOCHUN NCC CO., LTD. (KR) 2006-07-27 WO disclosed
US-20050197433-A1 Molecular weight modification of thermoplastic polymers CIBA SPECIALTY CHEMICALS CORP. 2005-09-08 US disclosed
EP-0323086-B1 Process for preparing detergents EXXON CHEMICAL PATENTS INC (US) 1994-06-08 EP disclosed
US-5183742-A Useful for early detection, diagnosis and control of diseases such as diabetes, gastropathy, naphropathy and hepatic insufficiency DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1993-02-02 US disclosed
US-4957642-A REACTION OF MAGNESIUM COMPOUND AND A PHENOL, FREE OF INORGANIC HALIDE CATALYST EXXON CHEMICAL PATENTS INC. (US) 1990-09-18 US disclosed
EP-0323086-A2 Process for preparing detergents EXXON CHEMICAL PATENTS INC. (US) 1989-07-05 EP disclosed
US-3934056-A Resin compositions of high adhesivity comprising E/VA copolymer, chlorinated or chlorosulfonated polyethylene, an unsaturated acid and a peroxy compound SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-01-20 US disclosed