SCHEMBL5684218

SCHEMBL5684218

[CH]c1ccc(OCC#C)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.60
▸ CA12 O43570 6/20 0.55
▸ CA4 P22748 6/20 0.55
▸ CA9 Q16790 6/20 0.55
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA7 P43166 1/20 0.55
▸ MAOB P27338 9/20 0.50
▸ MAOA P21397 7/20 0.50
▸ ACHE P22303 1/20 0.50
▸ PTGS2 P35354 2/20 0.44
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 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
SCHEMBL5704167 0.90 CA12 (0.63) GSTP1CA12CA4CA9CA1
Hydrochloric Acid SCHEMBL21694040 0.87 CA12 (0.61) GSTP1CA12CA4CA9CA1
SCHEMBL9155218 0.83 GSTP1 (0.68) GSTP1CA12CA4CA9CA1
SCHEMBL15800551 0.83 CA12 (0.57) GSTP1CA12CA4CA9CA1
SCHEMBL5981846 0.79 CA12 (0.53) GSTP1CA12CA4CA9CA1
SCHEMBL975819 0.79 CA12 (0.53) GSTP1CA12CA4CA9CA1
SCHEMBL126400 0.79 CA12 (0.58) GSTP1CA12CA4CA9CA1
SCHEMBL22388776 0.79 CA12 (0.53) GSTP1CA12CA4CA9CA1
SCHEMBL3805100 0.79 CA12 (0.53) GSTP1CA12CA4CA9CA1
SCHEMBL126399 0.79 CA12 (0.53) GSTP1CA12CA4CA9CA1

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
EP-0979645-B1 Light screening composition containing a polysiloxane type UV-B screening agent and a benzimidazol type UV-B screening agent DSM IP ASSETS BV (NL) 2006-04-12 — — EP disclosed
EP-1074244-B1 Topical composition comprising a tocopherol compound DSM IP ASSETS BV (NL) 2006-03-08 — — EP disclosed
EP-0998906-B1 Shampoo composition containing light screening agents DSM IP ASSETS BV (NL) 2005-05-25 — — EP disclosed
EP-1074244-A2 Topical composition comprising a tocopherol compound F. HOFFMANN-LA ROCHE AG (CH) 2001-02-07 — — EP disclosed
US-6123929-A A COSMETIC SUNSCREEN COMPRISES IN AN AQUEOUS PHASE A 2-PHENYLBENZIMIDAZOLE SULFONIC ACID OR SALT AND A FATTY PHASE CONTAINING A LINEAR OR CYCLIC MODIFIED POLYSILOXANE ROCHE VITAMINS INC. (US) 2000-09-26 — — US disclosed
EP-0998906-A2 Shampoo composition F. HOFFMANN-LA ROCHE AG (CH) 2000-05-10 — — EP disclosed
EP-0979645-A1 Light screening composition containing a polysiloxane type UV-B screening agent and a benzimidazol type UV-B screening agent F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 — — EP disclosed
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