SCHEMBL9637730

SCHEMBL9637730

CC(=O)C(CCS)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.43
ENPEP Q07075 5/20 0.39
ANPEP P15144 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 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
SCHEMBL9638452 0.85 FOLH1 (0.47) FOLH1ENPEPKDM4EMAPTTHRB
SCHEMBL9637611 0.83 FOLH1 (0.48) FOLH1ENPEPKDM4EMAPTTHRB
SCHEMBL10001330 0.83 ENPEP (0.52) FOLH1ENPEPANPEPKDM4EMAPT
SCHEMBL9392724 0.83 CHRM1 (0.41) ENPEPCHRM1AKR1A1CHRM3HTR2A
SCHEMBL9637766 0.81 FOLH1 (0.50) FOLH1ENPEPMAPTCPB2
SCHEMBL9638476 0.81 FOLH1 (0.50) FOLH1ENPEPMAPTCPB2
SCHEMBL9637745 0.81 FOLH1 (0.50) FOLH1ENPEPMAPTCPB2
SCHEMBL9637650 0.81 FOLH1 (0.50) FOLH1ENPEPMAPTCPB2
SCHEMBL27980396 0.80 FOLH1 (0.36) FOLH1ENPEPANPEPKDM4EMAPT
SCHEMBL12851375 0.78 GPR84 (0.41) MAPTBLMCHRM1AKR1A1CHRM3

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-0367508-B1 MERCAPTOALKYL ACETOACETATES, USE THEREOF AND A PROCESS FOR THE PREPARATION OF MERCAPTOALKYL ACETOACETATES ROHM AND HAAS COMPANY (US) 1992-07-22 EP claimed
EP-0367508-A1 Mercaptoalkyl acetoacetates, use thereof and a process for the preparation of mercaptoalkyl acetoacetates ROHM AND HAAS COMPANY (US) 1990-05-09 EP claimed
JP-2172965-A None JP disclosed
EP-0367508-B1 MERCAPTOALKYL ACETOACETATES, USE THEREOF AND A PROCESS FOR THE PREPARATION OF MERCAPTOALKYL ACETOACETATES ROHM AND HAAS COMPANY (US) 1992-07-22 EP disclosed
US-4960924-A Mercaptoalkyl acetoacetates ROHM AND HAAS COMPANY (US) 1990-10-02 US disclosed
JP-H02172965-A MERCAPTOALKYL ACETATE ROHM & HAAS CO 1990-07-04 JP disclosed
EP-0367508-A1 Mercaptoalkyl acetoacetates, use thereof and a process for the preparation of mercaptoalkyl acetoacetates ROHM AND HAAS COMPANY (US) 1990-05-09 EP disclosed