SCHEMBL9720123

SCHEMBL9720123

O=P(c1cccc(S(=O)(=O)O)c1)(c1cccc(S(=O)(=O)O)c1)c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SNCA P37840 2/20 0.43
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.39
▸ CASP6 P55212 5/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NSD2 O96028 2/20 0.37
▸ DUSP3 P51452 2/20 0.37
▸ PTPN5 P54829 2/20 0.37
▸ PTPN11 Q06124 2/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ LMNA P02545 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
SCHEMBL30764112 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRTDP1SMN1; SMN2
SCHEMBL2928727 0.94 TSHR (0.54) ALDH1A1HSD17B10TSHRTDP1SMN1; SMN2
SCHEMBL29176807 0.94 TSHR (0.54) ALDH1A1HSD17B10TSHRTDP1SMN1; SMN2
SCHEMBL1502178 0.93 TSHR (0.52) ALDH1A1HSD17B10TSHRTDP1SMN1; SMN2
SCHEMBL2172519 0.86 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRTDP1SMN1; SMN2
SCHEMBL15862378 0.85 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRTDP1SMN1; SMN2
SCHEMBL29176805 0.84 KMT2A (0.53) ALDH1A1TSHRTDP1PTPN11CA1
SCHEMBL15862295 0.84 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRTDP1SMN1; SMN2
SCHEMBL8208740 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRTDP1SMN1; SMN2
SCHEMBL16435165 0.81 TSHR (0.37) ALDH1A1HSD17B10TSHRTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155274-A Catalyst for amination of unsaturated compounds with secondary amine HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-13 — — US disclosed
US-5057618-A Catalysts HOECHST AKTIENGESELLSCHAFT (JP) 1991-10-15 — — US disclosed
US-RE31812-E TO ALDEHYDES IN PRESENCE OF CATALYTIC SYSTEM CONTAINING RHODIUM AND SULFONATED ARYL PHOSPHINE COMPOUND RHONE-POULENC INDUSTRIES (FR) 1985-01-22 — — US disclosed
US-4260750-A OF DIENES, TRIARYLPHOSPHINE CATALYST RHONE-POULENC INDUSTRIES (FR) 1981-04-07 — — US disclosed
US-4248802-A Catalytic hydroformylation of olefins RHONE-POULENC INDUSTRIES (FR) 1981-02-03 — — US disclosed
US-4219677-A FOR DIENES IN PRESENCE OF SULFONATED PHOSPHINE CATALYST RHONE-POULENC INDUSTRIES (FR) 1980-08-26 — — US disclosed
US-4142060-A DIENES, WATER RHONE-POULENC INDUSTRIES (FR) 1979-02-27 — — US disclosed
US-4087452-A Process of hydrocyanation of unsaturated organic compounds containing at least one ethylenic double bond RHONE-POULENC INDUSTRIES (FR) 1978-05-02 — — US disclosed
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