SCHEMBL9748549

SCHEMBL9748549

C=CCC(CC)(C(=O)O)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.80
TSHR P16473 1/20 0.80
HTT P42858 1/20 0.65
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 1/20 0.41
MAPT P10636 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.36
KIF11 P52732 1/20 0.36
GAA P10253 1/20 0.35
PTGFR P43088 2/20 0.35
DRD2 P14416 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL7769347 0.89 ALDH1A1 (1.00) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL10747932 0.84 ALDH1A1 (0.61) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL504013 0.83 ALDH1A1 (0.57) ALDH1A1TSHRHTTKMT2AHDAC1
SCHEMBL6406725 0.83 ALDH1A1 (0.69) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL5683703 0.81 ALDH1A1 (0.77) ALDH1A1TSHRHTTKMT2AMEN1
Hydrogen Sulfide SCHEMBL28874622 0.81 ALDH1A1 (0.55) ALDH1A1TSHRHTTKMT2AHDAC1
Hydrogen Sulfide SCHEMBL27877649 0.81 ALDH1A1 (0.55) ALDH1A1TSHRHTTKMT2AHDAC1
SCHEMBL27930936 0.79 TSHR (0.55) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL9723325 0.79 ALDH1A1 (0.50) ALDH1A1TSHRHTTSMN1; SMN2HDAC1
SCHEMBL9723329 0.79 ALDH1A1 (0.50) ALDH1A1TSHRHTTSMN1; SMN2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP disclosed
US-4677193-A GONADOTROPIN-RELEASING FACTOR ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1987-06-30 US disclosed
EP-0192492-A2 Peptides containing an aliphatic-aromatic ketone side chain THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-08-27 EP disclosed
US-4531008-A Insecticide, miticide SUMITOMO CHEMICAL CO., LTD. (JP) 1985-07-23 US disclosed
US-4266074-A SUBSTITUTED PHENYL BUTENYL ACETATES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1981-05-05 US disclosed
US-4062968-A MITICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-12-13 US disclosed
US-4058622-A Substituted phenyl acetate, insecticidal composition and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-11-15 US disclosed
US-4039680-A SULFUR CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US disclosed
US-4031235-A Insecticidal substituted acetate compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-06-21 US disclosed
US-3996244-A Insecticidal esters of substituted furan methanol SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-12-07 US disclosed