SCHEMBL7792403

SCHEMBL7792403

COc1c(C)cc(C(=O)O)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.48
TPMT P51580 6/20 0.45
RARA P10276 2/20 0.43
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 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
SCHEMBL3637333 0.89 TNFRSF1A (0.56) TNFRSF1ATPMTRARARARBRARG
SCHEMBL7792201 0.84 TPMT (0.43) TNFRSF1ATPMTRARARARBRARG
SCHEMBL312132 0.83 TPMT (0.55) TPMTCA12CA1CA2CA3
SCHEMBL7792416 0.83 TPMT (0.40) TNFRSF1ATPMTRARARARBRARG
SCHEMBL7792214 0.82 RXRA (0.39) RARGTSHREPHX2
SCHEMBL16502263 0.82 ALDH1A1 (0.46) TNFRSF1AALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL11851061 0.81 TPMT (0.53) TPMTCA12CA1CA2CA3
SCHEMBL7792476 0.80 TNFRSF1A (0.46) TNFRSF1ATPMTRARARARBRARG
SCHEMBL10322781 0.79 TNFRSF1A (0.45) TNFRSF1ATPMTRARARARBRARG
SCHEMBL7796475 0.79 TNFRSF1A (0.48) TNFRSF1ATPMTRARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed