SCHEMBL9626437

SCHEMBL9626437

CCOc1ccc(C(c2c(C)n(CC)c3ccccc23)c2c(C)n(CC)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
CYP19A1 P11511 2/20 0.45
MAPT P10636 8/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
GRIK2 Q13002 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 5/20 0.39

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
SCHEMBL9657130 0.88 GRIK2 (0.54) TP53CYP19A1MAPTLMNASMN1; SMN2
SCHEMBL9657076 0.85 CYP19A1 (0.52) THRBCYP19A1MAPTLMNAHTT
SCHEMBL7454319 0.84 CYP19A1 (0.48) TP53THRBCYP19A1MAPTLMNA
SCHEMBL30587346 0.84 CYP19A1 (0.48) TP53THRBCYP19A1MAPTLMNA
SCHEMBL9658173 0.84 ALDH1A1 (0.48) TP53THRBCYP19A1MAPTLMNA
SCHEMBL9658912 0.82 CYP19A1 (0.47) TP53CYP19A1MAPTHTTMAPK1
SCHEMBL9658303 0.82 CYP19A1 (0.62) CYP19A1MAPTLMNASMN1; SMN2HTT
SCHEMBL9657046 0.81 ALDH1A1 (0.52) TP53CYP19A1MAPTLMNAHTT
SCHEMBL10528703 0.81 KDM4E (0.47) CYP19A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL9657054 0.80 GRIK2 (0.49) TP53THRBMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244219-B1 TEMPERATURE HISTORY INDICATOR AND ITS MANUFACTURE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-10-21 EP disclosed
US-5130291-A HEAT-SENSITIVE RECORDING PAPER OSAKA SEALING PRINTING CO., LTD. (JP) 1992-07-14 US disclosed
EP-0156912-B1 TEMPERATURE SUPERVISION AND DISPLAY UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-05-13 EP disclosed
US-4931420-A COLOR CHANGING LABELS, CHIPS FOR STORED FOODS, MEDICINES, BLOOD; RUPTURABLE CAPSULES CONTAINING DYE AND DEVELOPER MITSUI TOATSU CHEMICALS, INC. (JP) 1990-06-05 US disclosed
EP-0133182-B1 OXIDATION-REDUCTION COLOR PRODUCTION-TYPE HEAT-SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-15 EP disclosed
US-4729671-A FOR FROZEN FOODS AND DRUGS, METHANE DYES MITSUI TOATSU CHEMICALS, INC. (JP) 1988-03-08 US disclosed
EP-0244219-A2 Temperature history indicator and its manufacture MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-11-04 EP disclosed
EP-0055847-B1 PRESSURE SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-04-02 EP disclosed
US-4561000-A METHINE-TYPE CHROMOGEN, BENZOQUINONE OXIDIZER, COLOR PRODUCTION SENSITIVITY REGULATOR, SUBSTRATE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-12-24 US disclosed
EP-0133182-A1 OXIDATION-REDUCTION COLOR PRODUCTION-TYPE HEAT-SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-02-20 EP disclosed
US-4398753-A METHINE-TYPE DYES AND QUINONE DERIVATIVE IN REDOX SYSTEM FOR CARBON-FREE REPRODUCTION MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1983-08-16 US disclosed
EP-0055847-A1 Pressure sensitive recording unit MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-07-14 EP disclosed