SCHEMBL14853306

SCHEMBL14853306

CSc1ccccc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPN1 P18031 1/20 0.40
ALOX5 P09917 2/20 0.37
PTGS2 P35354 2/20 0.37
PTPN5 P54829 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL13045202 0.84 TSHR (0.47) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL13043636 0.83 TSHR (0.43) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL13045201 0.81 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL28775692 0.81 HSP90AA1 (0.50) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL9159364 0.80 EGFR (0.41) CYP1A2CYP2C9PTPN1ALOX5PTGS2
SCHEMBL241470 0.80 HSP90AA1 (0.62) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL29671062 0.80 HSP90AA1 (0.62) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL29370116 0.80 HSP90AA1 (0.62) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL28156686 0.78 CYP2C9 (0.49) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL14820672 0.76 CYP1A2 (0.50) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR

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
US-9328205-B2 Iron(III) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-05-03 US disclosed
US-9328205-B2 Iron(III) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-05-03 US disclosed
US-20140371056-A1 Iron(III) Containing Complex and Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW COMING CORPORATION (US) 2014-12-18 US disclosed
US-20140371056-A1 Iron(III) Containing Complex and Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW COMING CORPORATION (US) 2014-12-18 US disclosed
WO-2013052585-A2 IRON(III) CONTAINING COMPLEX AND CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2013-04-11 WO disclosed