SCHEMBL7900060

SCHEMBL7900060

C=C(CSCC(=O)O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.66
▸ FFAR1 O14842 1/20 0.50
▸ CYP2D6 P10635 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ ALKBH5 Q6P6C2 1/20 0.46
▸ MMP12 P39900 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ MAOA P21397 2/20 0.42
▸ MAOB P27338 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL7900079 0.83 CYP2C19 (0.53) ALDH1A1FFAR1ALKBH5MMP12MMP13
SCHEMBL2874180 0.79 ALDH1A1 (1.00) ALDH1A1FFAR1CYP2D6HIF1AALKBH5
SCHEMBL7900084 0.76 MAOA (0.42) ALDH1A1MAOAMAOBTSHRMAPT
SCHEMBL9496848 0.76 SMN1; SMN2 (0.45) ALDH1A1CYP2D6MAOAMAOBCYP1A2
SCHEMBL9843442 0.76 MAOA (0.39) ALDH1A1CYP2D6MAOAMAOBCYP1A2
SCHEMBL7892776 0.74 CYP1A2 (0.47) ALDH1A1CYP2D6MAOAMAOBCYP1A2
SCHEMBL156766 0.74 MAOA (0.54) ALDH1A1HIF1AMAOAMAOBTSHR
SCHEMBL3383700 0.72 NR4A2 (0.61) ALDH1A1FFAR1HIF1AMAOAMAOB
SCHEMBL9786192 0.72 MAOA (0.47) ALDH1A1MAOAMAOBKMT2AMEN1
SCHEMBL7892788 0.72 PTGS2 (0.41) ALDH1A1MAOAMAOBMAPTCES1

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
US-5874511-A CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 — — US claimed
EP-0333758-B1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS COMMW SCIENT IND RES ORG (AU) 1995-11-02 — — EP claimed
US-6197905-B1 VINYL ETHER CHAIN TRANSFER AGENT TERMINATES THE GROWTH OF THE POLYMER CHAIN BY ADDITION TO THE PROPAGATING POLYMER RADICAL FOLLOWED BY EXPULSION OF A RADICAL WHICH THEN INITIATES ANOTHER POLYMER CHAIN COMMONWEALTH SCIENTIFIC & INDUSTRIAL RESARCH ORGANIZATION (AU) 2001-03-06 — — US disclosed
US-5932675-A Free-radical chain transfer polymerization process COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-08-03 — — US disclosed
US-5874511-A CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 — — US disclosed
EP-0333758-B1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS COMMW SCIENT IND RES ORG (AU) 1995-11-02 — — EP disclosed
US-5385996-A Control of molecular weight and end-group functionality of polymers COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-01-31 — — US disclosed
EP-0333758-A4 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS. COMMW SCIENT IND RES ORG (AU) 1990-05-14 — — EP disclosed
EP-0333758-A1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS. COMMW SCIENT IND RES ORG (AU) 1989-09-27 — — EP disclosed
WO-1988004304-A1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 1988-06-16 — — WO disclosed
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