SCHEMBL9505681

SCHEMBL9505681

C=C(C(=O)O)C(CCC)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
RECQL P46063 1/20 0.34
HDAC7 Q8WUI4 3/20 0.33

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
SCHEMBL7757273 0.89 RECQL (0.42) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL177995 0.84 HDAC1 (0.37) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL307519 0.83 RECQL (0.33) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL2784998 0.82 HDAC1 (0.35) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL29291030 0.82 RECQL (0.32) RECQL
SCHEMBL15121243 0.82
SCHEMBL28325083 0.82 RECQL (0.32) RECQL
SCHEMBL16053740 0.81 NFKB1 (0.45) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL11830249 0.80
SCHEMBL27870203 0.80 GABRR1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290936-B1 LIQUID ELECTROSTATIC DEVELOPERS COMPOSED OF BLENDED RESINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-11 EP disclosed
EP-0290936-A1 Liquid electrostatic developers composed of blended resins E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-17 EP disclosed
US-4772528-A NEGATIVELY CHARGED RESIN PARTICLES, IMAGING, RESOLUTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-09-20 US disclosed
EP-0251215-A2 Chargeable resins for liquid electrostatic developers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-07 EP disclosed
US-4681831-A NONPOLAR LIQUID, ANIONIC POLYMERS, IONIC OR ZWITTERIONIC CHARGE DIRECTOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-07-21 US disclosed
US-4661557-A Preparation of stable aqueous polymer dispersions which contain an alkenyl-aromatic compound as copolymerized units BASF AKTIENGESELLSCHAFT (DE) 1987-04-28 US disclosed
US-4215027-A Aqueous thermosettable coating compositions comprising aqueous copolymer latex, amine neutralized copolymer and melamine-formaldehyde resin CANADIAN INDUSTRIES LIMITED (CA) 1980-07-29 US disclosed
US-3992333-A NITROGEN AND SULFUR CONTAINING COPOLYMER IS SELF-CROSSLINKING BINDER ROHM AND HAAS COMPANY (US) 1976-11-16 US disclosed
US-3950294-A AQUEOUS COATING COMPOSITIONS OF DISPERSIONS OF THERMOPLASTIC ADDITION POLYMERS WITH LOW MOLECULAR WEIGHT PLASTICIZERS CONNELLY WILLIAM 1976-04-13 US disclosed