SCHEMBL8436002

SCHEMBL8436002

CCCc1cc(C(O)(C(=O)O)C(=O)O)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.35
ESR2 Q92731 4/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 2/20 0.33
MCHR1 Q99705 1/20 0.33
CHEK1 O14757 1/20 0.33
FYN P06241 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
GRK5 P34947 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAPK8 P45983 1/20 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
SCHEMBL8432173 0.89 ESR1 (0.40) ESR1ESR2MEN1CYP1A2KMT2A
SCHEMBL8432092 0.76 ESR1 (0.46) ESR1ESR2MEN1CYP1A2KMT2A
SCHEMBL542318 0.76 NR1H2 (0.46) MEN1KMT2AMAPK1SMN1; SMN2PGR
SCHEMBL20472319 0.75 HRH4 (0.46) PPARGPPARAARPPARDALDH1A1
SCHEMBL8433249 0.75 MAPT (0.42) PPARGPPARAMEN1CYP1A2KMT2A
SCHEMBL8431885 0.74 HSD17B10 (0.51) MEN1CYP1A2KMT2AALDH1A1LMNA
SCHEMBL9204049 0.73 HTT (0.40) ESR1ESR2MEN1CYP1A2KMT2A
SCHEMBL24242359 0.72 AR (0.38) ESR1ESR2PPARGPPARAPTPN1
SCHEMBL8433213 0.71 ALDH1A1 (0.43) ESR2MEN1KMT2AALDH1A1MAPK1
SCHEMBL9156166 0.71 TDP1 (0.48) ESR1ESR2MEN1CYP1A2KMT2A

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-0605404-B1 Polycyclic dyes BASF AG (DE) 1999-12-08 EP disclosed
EP-0363034-B1 Polycyclic dyes ZENECA LTD (GB) 1995-01-04 EP disclosed
EP-0605404-A2 Polycyclic dyes ZENECA LIMITED (GB) 1994-07-06 EP disclosed
US-5212313-A For polyester IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-18 US disclosed
US-5183888-A Reacting a phenyl tartronic acid with a dihydrobenzofuran, oxidizing, to get dihydrobenzodifuran IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-02 US disclosed
US-5084580-A Aniline dyes for polyester fabrics to give green and blue color IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 US disclosed
EP-0363034-A2 Polycyclic dyes ZENECA LIMITED (GB) 1990-04-11 EP disclosed