SCHEMBL4551209

SCHEMBL4551209

CC(C)(C)C1(OC(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SRD5A2 P31213 3/20 0.41
RXRA P19793 9/20 0.40
RXRB P28702 8/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
RXRG P48443 5/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
RARA P10276 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.37

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
Isophthalic Acid SCHEMBL11234311 0.91 RXRA (0.39) ALDH1A1SMN1; SMN2TSHRRXRARXRB
SCHEMBL27705702 0.71 TSHR (0.44) ALDH1A1SMN1; SMN2TP53TSHRSRD5A2
SCHEMBL11033971 0.70 TSHR (0.43) ALDH1A1SMN1; SMN2TP53TSHRSRD5A2
SCHEMBL5325877 0.70 ALDH1A1 (0.46) ALDH1A1TP53TSHRRXRARXRB
SCHEMBL527251 0.70 CA1 (0.54) ALDH1A1SMN1; SMN2TP53TSHRSRD5A2
Terephthalic Acid SCHEMBL10332533 0.70 TSHR (0.75) ALDH1A1SMN1; SMN2TP53TSHRSRD5A2
Ammonia Solution, Strong SCHEMBL7374147 0.68 CA1 (0.53) ALDH1A1SMN1; SMN2TP53TSHRSRD5A2
SCHEMBL351316 0.68 TSHR (0.50) ALDH1A1SMN1; SMN2TP53TSHRSRD5A2
SCHEMBL7115499 0.68 TSHR (0.50) ALDH1A1SMN1; SMN2TP53TSHRSRD5A2
Terephthalic Acid SCHEMBL1243625 0.67 TSHR (0.80) ALDH1A1SMN1; SMN2TP53TSHRSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4010221-A COPOLYESTER COMPOSITIONSBLENDS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-03-01 US claimed
EP-1624012-B2 SHEET-FORM WINDOW MEMBER AND WINDOW STRUCTURE TEIJIN CHEMICALS LTD (JP) 2015-09-02 EP disclosed
EP-1624012-B1 SHEET-FORM WINDOW MEMBER AND WINDOW STRUCTURE TEIJIN CHEMICALS LTD (JP) 2009-12-30 EP disclosed
US-7591505-B2 Sheet-form window member and window structure TEIJIN CHEMICALS, LTD. (JP) 2009-09-22 US disclosed
US-20060131928-A1 Sheet-form window member and window structure TEIJIN CHEMICALS LTD. (JP) 2006-06-22 US disclosed
EP-1624012-A1 SHEET-FORM WINDOW MEMBER AND WINDOW STRUCTURE Teijin Chemicals, Ltd. (JP) 2006-02-08 EP disclosed
US-4010221-A COPOLYESTER COMPOSITIONSBLENDS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-03-01 US disclosed