SCHEMBL9453026

SCHEMBL9453026

CCCCCCCCCCCCOC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
TSHR P16473 4/20 0.70
LMNA P02545 3/20 0.70
CYP3A4 P08684 2/20 0.68
MAPK1 P28482 2/20 0.68
TP53 P04637 1/20 0.68
KDM4E B2RXH2 3/20 0.62
HSD17B10 Q99714 2/20 0.62
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 5/20 0.60
TDP1 Q9NUW8 2/20 0.60
ESR1 P03372 1/20 0.60
GLA P06280 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
PTGS2 P35354 1/20 0.50
GAA P10253 1/20 0.49
PTPN2 P17706 1/20 0.48

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
SCHEMBL29000969 1.00 ALDH1A1 (0.70) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL3387460 0.94 TSHR (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28270647 0.90 ALDH1A1 (0.68) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL1928460 0.88 ALDH1A1 (0.68) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28067351 0.88 ALDH1A1 (0.61) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27469712 0.86 ALDH1A1 (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28274439 0.86 ALDH1A1 (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL8740463 0.85 ALDH1A1 (0.73) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL4733034 0.84 TSHR (0.57) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL81945 0.83 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320939-B1 SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1993-06-09 EP disclosed
US-5187055-A Malondianilide coupler improved in fastness of color image produced FUJI PHOTO FILM CO., LTD. (JP) 1993-02-16 US disclosed
EP-0320939-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1989-06-21 EP disclosed