SCHEMBL9601062

SCHEMBL9601062

CCC([O])Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 3/20 0.39
PAX8 Q06710 1/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL7298205 0.78 MAPK1 (0.41) ALDH1A1L3MBTL1KDM4EGAALMNA
SCHEMBL10455674 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL6845929 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL5174689 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL1453904 0.74 L3MBTL1 (0.45) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL11452957 0.74 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL95521 0.73 LMNA (0.42) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL7975341 0.73 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL3688482 0.73 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
Fluoride SCHEMBL1335974 0.73 MAOA (0.47) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2

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-0313943-B1 1,2-NAPHTALOCYANINE NEAR-INFRARED ABSORBENT AND RECORDING/DISPLAY MATERIALS USING SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 EP disclosed
US-4960538-A LIGHT, WEATHER, THERMAL RESISTANCE MITSUI TOATSU CHEMICALS, INC (JP) 1990-10-02 US disclosed
EP-0313943-A2 1,2-naphtalocyanine near-infrared absorbent and recording/display materials using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-05-03 EP disclosed