SCHEMBL1997760

SCHEMBL1997760

CC(C)(C)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2C(C)(C)C)c1OPOc1c(-c2ccccc2C(C)(C)C)cc(-c2ccccc2)cc1-c1ccccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
PTPN5 P54829 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.31
ATM Q13315 2/20 0.31
PRKDC P78527 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
XBP1 P17861 1/20 0.31
PTBP1 P26599 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 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
SCHEMBL2001062 0.79 TRPA1 (0.33) TRPA1PTPN5TSHRALDH1A1TDP1
SCHEMBL23746850 0.76 TRPA1 (0.45) TRPA1PTPN5MEN1KMT2ATSHR
SCHEMBL13626997 0.73 LMNA (0.33) MEN1KMT2ATSHRMAPTNPC1
SCHEMBL1897892 0.72 TRPA1 (0.33) TRPA1PTPN5P2RY1
SCHEMBL13626999 0.72 BACE1 (0.39) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL668814 0.72 TRPA1 (0.47) TRPA1MEN1KMT2ATSHRALDH1A1
SCHEMBL2267090 0.72 TRPA1 (0.47) TRPA1MEN1KMT2ATSHRALDH1A1
SCHEMBL5605717 0.72 ALDH1A1 (0.43) TRPA1PTPN5TSHRALDH1A1TDP1
SCHEMBL30721712 0.72 ALDH1A1 (0.43) TRPA1PTPN5TSHRALDH1A1TDP1
SCHEMBL291792 0.71 ALDH1A1 (0.46) TRPA1PTPN5MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969436-B2 Method of producing a molded article TEIJIN CHEMICALS, LTD. (JP) 2015-03-03 US disclosed
US-20110147992-A1 METHOD OF PRODUCING A MOLDED ARTICLE TEIJIN CHEMICALS, LTD. (JP) 2011-06-23 US disclosed