SCHEMBL6969403

SCHEMBL6969403

O=C(Sc1c[c]ccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.40
LMNA P02545 2/20 0.36
F2 P00734 1/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PLIN1 O60240 1/20 0.36
HTT P42858 1/20 0.36
PLIN5 Q00G26 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 2/20 0.36
ESR1 P03372 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CES1 P23141 4/20 0.35
CES2 O00748 3/20 0.35
TSHR P16473 2/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL7405360 0.81 FFAR1 (0.33) HPGDALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL274958 0.80 TTR (0.49) TTRLMNAF2HPGDMAPT
SCHEMBL28938346 0.78 FFAR1 (0.31) FFAR1
SCHEMBL8359013 0.76 NPC1 (0.48) TTRLMNAHPGDMAPTALDH1A1
SCHEMBL26038959 0.76 CES1 (0.48) TTRLMNAF2HPGDMAPT
SCHEMBL6972687 0.76 CA12 (0.36) HPGDALDH1A1CES1CES2CA12
SCHEMBL10226685 0.73 ALDH1A1 (0.58) TTRLMNAHPGDMAPTALDH1A1
SCHEMBL2571596 0.71 LMNA (0.33) LMNA
SCHEMBL6219628 0.71 ALDH1A1 (0.39) ALDH1A1RAB9A
SCHEMBL315777 0.71 ALDH1A1 (0.61) LMNAHPGDMAPTALDH1A1NPC1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed