SCHEMBL7754574

SCHEMBL7754574

O=C(CCc1ccccc1)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
CASP3 P42574 3/20 0.61
SENP7 Q9BQF6 3/20 0.61
SENP6 Q9GZR1 3/20 0.61
SENP8 Q96LD8 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 2/20 0.58
PLA2G10 O15496 1/20 0.58
PLA2G2A P14555 1/20 0.58
DPP4 P27487 1/20 0.57
FFAR1 O14842 1/20 0.57
KEAP1 Q14145 1/20 0.55
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 2/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51

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
SCHEMBL15524969 0.88 TDP1 (0.77) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL30572 0.88 TDP1 (0.77) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL28251466 0.88 TDP1 (0.77) NPC1RAB9ACASP3SENP7SENP6
Hydrochloric Acid SCHEMBL27556767 0.86 TDP1 (0.74) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL12065203 0.85 NPC1 (0.68) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL28013318 0.85 L3MBTL1 (0.72) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL24599291 0.85 FFAR1 (0.69) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL4217497 0.85 DPP4 (0.77) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL1985867 0.85 NPC1 (0.62) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL12918716 0.85 NR4A2 (0.70) NPC1RAB9ACASP3SENP7SENP6

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-0811595-B1 HYDROCHALCONE DERIVATIVES, COMESTIC COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR THE PREPARATION OF BOTH MITSUI CHEMICALS INC (JP) 2001-02-07 EP disclosed
US-5880314-A DEPIGMENTING; SAFE TO SKIN, STORAGE STABLE MITSUI CHEMICALS, INC. (JP) 1999-03-09 US disclosed
EP-0811595-A1 HYDROCHALCONE DERIVATIVES, COMESTIC COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR THE PREPARATION OF BOTH MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-12-10 EP disclosed