SCHEMBL17472546

SCHEMBL17472546

CC(C)(C)c1cccc(C(C)(C)C)c1-c1[c]ccc(-c2c(C(C)(C)C)cccc2C(C)(C)C)c1-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 1/20 0.31
▸ SIGMAR1 Q99720 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
SCHEMBL1898676 0.81 PTPN5 (0.32) PTPN5ALDH1A1TSHRTDP1
SCHEMBL1898188 0.79 PTPN5 (0.35) CA2PTPN5ALDH1A1TSHRTDP1
SCHEMBL5891289 0.78 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL499733 0.74 PTPN5 (0.32) PTPN5
SCHEMBL1898189 0.73 CA2 (0.33) CA2PTPN5ALDH1A1TSHRTDP1
SCHEMBL1902139 0.73 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL28607701 0.72 ALDH1A1 (0.52) CA2PTPN5ALDH1A1TSHRTDP1
SCHEMBL27908557 0.72 CA2 (0.41) CA2PTPN5ALDH1A1TSHRTDP1
SCHEMBL27781320 0.72 CA2 (0.41) CA2PTPN5ALDH1A1TSHRTDP1
SCHEMBL27908556 0.72 CA2 (0.44) CA2PTPN5ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3650482-B1 POLYCARBONATE COPOLYMER TEIJIN LTD (JP) 2023-01-11 — — EP disclosed
EP-3650482-A1 POLYCARBONATE COPOLYMER Teijin Limited (JP) 2020-05-13 — — EP disclosed
EP-2980184-B1 USE OF A MECHANOLUMINESCENT MATERIAL SAKAI CHEMICAL INDUSTRY CO (JP) 2018-08-01 — — EP disclosed
EP-2629306-B1 RESIN COMPOSITION FOR COATING ELECTRICAL WIRE AND INSULATED ELECTRICAL WIRE USING SAME TEIJIN LTD (JP) 2016-11-30 — — EP disclosed
EP-2505585-B1 BIS-BENZOXAZINONE COMPOUND TEIJIN CHEMICALS LTD (JP) 2016-08-03 — — EP disclosed
EP-2980184-A1 MECHANOLUMINESCENT MATERIAL AND USE APPLICATIONS THEREOF, RAW MATERIAL COMPOSITION FOR MECHANOLUMINESCENT MATERIAL, AND METHOD FOR PRODUCING MECHANOLUMINESCENT MATERIAL Sakai Chemical Industry Co., Ltd. (JP) 2016-02-03 — — EP disclosed
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