SCHEMBL1431990

SCHEMBL1431990

OC(=S)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.43
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KCNN4 O15554 1/20 0.39
▸ PLK4 O00444 2/20 0.39
▸ DAPK3 O43293 2/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ PRKCG P05129 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ PHKG2 P15735 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ AXL P30530 2/20 0.39
▸ AKT1 P31749 2/20 0.39
▸ AKT2 P31751 2/20 0.39
▸ SYK P43405 2/20 0.39
▸ MAPKAPK2 P49137 2/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ GSK3A P49840 2/20 0.39

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
SCHEMBL10880209 0.78 CYP1A2 (0.41) CYP2C9CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL3889410 0.74 KCNN4 (0.44) CYP2C9CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL8793851 0.74 ALDH1A1 (0.44) CYP2C9CYP1A2CYP2C19ALDH1A1KCNN4
SCHEMBL8793845 0.74 ALDH1A1 (0.44) CYP2C9CYP1A2CYP2C19ALDH1A1KCNN4
SCHEMBL26839406 0.72 CYP2C9 (0.43) CYP2C9CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL13894152 0.72 CYP2C9 (0.43) CYP2C9CYP1A2CYP2C19ALDH1A1TSHR
Benzylic Acid SCHEMBL7066 0.72 CYP2C9 (0.74) CYP2C9CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL9056652 0.72 CYP2C9 (0.54) CYP2C9CYP1A2CYP2C19KCNN4PLK4
SCHEMBL8187278 0.71 KCNN4 (0.58) CYP2C9CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL10657920 0.71 CYP1A2 (0.44) CYP2C9CYP1A2CYP2C19ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300244-B1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID PIRELLI (IT) 2011-12-14 — — EP claimed
EP-2300244-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID Pirelli Tyre S.P.A. (IT) 2011-03-30 — — EP claimed
WO-2010000294-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID PIRELLI TYRE S.P.A. (IT) 2010-01-07 — — WO claimed
EP-2300244-B1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID PIRELLI (IT) 2011-12-14 — — EP disclosed
US-20110177255-A1 METHOD FOR PRODUCING AN ALDEHYDE CONTAINING COATING UNIVERSITY OF DURHAM (GB) 2011-07-21 — — US disclosed
EP-2300244-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID Pirelli Tyre S.P.A. (IT) 2011-03-30 — — EP disclosed
WO-2010000294-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID PIRELLI TYRE S.P.A. (IT) 2010-01-07 — — WO disclosed
EP-1866103-B1 A METHOD FOR PRODUCING AN ALDEHYDE CONTAINING COATING SURFACE INNOVATIONS LTD (GB) 2009-07-22 — — EP disclosed
EP-1866103-A1 A METHOD FOR PRODUCING AN ALDEHYDE CONTAINING COATING UNIVERSITY OF DURHAM (GB) 2007-12-19 — — EP disclosed
WO-2006100480-A1 A METHOD FOR PRODUCING AN ALDEHYDE CONTAINING COATING UNIVERSITY OF DURHAM (GB) 2006-09-28 — — WO disclosed
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