SCHEMBL8466385

SCHEMBL8466385

Cc1ccc(OC(=O)Cl)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL37754 0.83 L3MBTL1 (0.53) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL11609948 0.82 KDM4E (0.48) L3MBTL1MAPTCYP2C9CYP2C19NPSR1
SCHEMBL11716516 0.82 TSHR (0.56) MAPTCYP1A2CYP2C9NPSR1ALDH1A1
SCHEMBL982573 0.82 L3MBTL1 (0.51) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6404163 0.82 L3MBTL1 (0.51) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL1799618 0.82 LMNA (0.52) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL10960395 0.81 ACHE (0.61) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL10958401 0.80 L3MBTL1 (0.50) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL473085 0.80 L3MBTL1 (0.50) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL29669768 0.80 L3MBTL1 (0.50) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874656-A Process for preparing o-alkylfluorobenzenes BAYER AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
EP-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 EP disclosed
US-5420364-A Process for the preparation of halogenated aromatic compounds BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 US disclosed
US-5306849-A Process for the preparation of halogenated aromatics BAYER AKTIENGESELLSCHAFT (DE) 1994-04-26 US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 US disclosed
EP-0214778-B2 Organic peroxide having a polymerization-regulating ability NIPPON OILS & FATS CO LTD (JP) 1993-11-24 EP disclosed
US-5210164-A Organic peroxide having a polymerization-regulating ability NIPPON OIL AND FATS CO., LTD. (JP) 1993-05-11 US disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP disclosed
US-5008353-A Organic peroxide having a polymerization-regulating ability NIPPON OIL AND FATS CO., LTD. (JP) 1991-04-16 US disclosed
US-4929747-A POLYMERIZATION CATALYSTS NIPPON OIL & FATS COMPANY, LTD. (JP) 1990-05-29 US disclosed
EP-0214778-B1 ORGANIC PEROXIDE HAVING A POLYMERIZATION-REGULATING ABILITY NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1990-05-09 EP disclosed
EP-0214778-A1 Organic peroxide having a polymerization-regulating ability NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-03-18 EP disclosed
US-4376731-A 2-NITRILES THEREOF BOEHRINGER MANNHEIM GMBH (DE) 1983-03-15 US disclosed
US-4069340-A ARYLOXY DIMETHYL IMMONIUM CHLORIDES FROM DIMETHYL FORMAMIDE AND CORRESPONDING ARYL CHLOROFORMATES HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1978-01-17 US disclosed
US-3986973-A CYANOFORMATES AND CYANOFORMAMIDES AS BLEACH ACTIVATORS AMERICAN CYANAMID COMPANY (US) 1976-10-19 US disclosed
US-3983178-A Immonium salts and derivatives thereof HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1976-09-28 US disclosed