SCHEMBL10468342

SCHEMBL10468342

CCCCOC(=O)c1cc(F)c(O)nc1NCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.45
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL10469372 0.92 ALDH1A1 (0.42) ESR1TSHRTDP1L3MBTL1CYP1A2
SCHEMBL10466968 0.91 ESR1 (0.46) ESR1TSHRTDP1L3MBTL1TP53
SCHEMBL10467363 0.88 ALDH1A1 (0.47) TSHRTDP1L3MBTL1CYP1A2CYP2C19
SCHEMBL10468335 0.87 ESR1 (0.50) ESR1TSHRTDP1L3MBTL1CYP1A2
SCHEMBL10468585 0.86 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1TP53
SCHEMBL10467088 0.86 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1TP53
SCHEMBL10468607 0.86 TSHR (0.41) ESR1TSHRTDP1L3MBTL1TP53
SCHEMBL10469441 0.85 CHRNA7 (0.40) TDP1L3MBTL1CYP1A2CYP2C19ALDH1A1
SCHEMBL10468172 0.83 ALDH1A1 (0.43) ESR1TSHRTDP1L3MBTL1CYP1A2
SCHEMBL10467023 0.82 ROCK2 (0.44) ESR1TSHRTDP1L3MBTL1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4916229-A Pyridine carboxylic acid derivates WARNER-LAMBERT COMPANY (US) 1990-04-10 US disclosed