SCHEMBL7769255

SCHEMBL7769255

C=Cc1ccc(C(=O)OCCBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.44
TSHR P16473 4/20 0.42
ESR1 P03372 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
LMNA P02545 4/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.40
HTR3A P46098 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
SCHEMBL9814412 0.90 TDP1 (0.47) SNCATSHRESR1ALDH1A1TDP1
SCHEMBL9814384 0.90 TDP1 (0.51) SNCATSHRESR1ALDH1A1TDP1
SCHEMBL26417020 0.89 SNCA (0.49) SNCATSHRESR1ALDH1A1TDP1
SCHEMBL9814388 0.89 TDP1 (0.50) SNCATSHRESR1ALDH1A1TDP1
SCHEMBL9814383 0.87 SNCA (0.47) SNCATSHRESR1ALDH1A1TDP1
SCHEMBL26417026 0.86 TDP1 (0.58) SNCATSHRESR1ALDH1A1TDP1
SCHEMBL28488838 0.85 TDP1 (0.54) TSHRESR1ALDH1A1TDP1CHRM1
SCHEMBL14094414 0.84 SERPINE1 (0.47) SNCATSHRESR1ALDH1A1TDP1
SCHEMBL28809943 0.84 SNCA (0.45) SNCATSHRESR1ALDH1A1TDP1
SCHEMBL1618016 0.84 SNCA (0.45) SNCATSHRESR1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759044-B1 POLYESTERS DU PONT (US) 2001-07-18 EP disclosed
US-5756644-A Polyesters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-05-26 US disclosed
EP-0759044-A1 POLYESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-02-26 EP disclosed
WO-1995030702-A1 POLYESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-11-16 WO disclosed
US-4705836-A Polymerization composition containing vinyl benzoic acid or a derivative thereof and a vinyl compound NIPPON SHIKEN DENTAL CO., LTD. (JP) 1987-11-10 US disclosed