SCHEMBL6940186

SCHEMBL6940186

O=c1c2cc3ccccc3n1n2CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.45
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MCL1 Q07820 1/20 0.38
HTR4 Q13639 1/20 0.37
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
PKM P14618 1/20 0.35
AHR P35869 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 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
SCHEMBL18247480 0.69 ALDH1A1 (0.42) DAOMCL1TP53TSHRSMN1; SMN2
SCHEMBL7003290 0.66 CNR2 (0.41) DAOLMNATP53HPGDTSHR
SCHEMBL24852495 0.66 DAO (0.62) DAODDB1CRBNMCL1HPGD
SCHEMBL38660783 0.65 DAO (0.47) DAODDB1CRBNMCL1LMNA
SCHEMBL5254835 0.64 CCR2 (0.67) DAOMCL1TSHRALDH1A1CNR2
SCHEMBL5786592 0.64 TP53 (0.60) TP53TSHRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL585623 0.64 CA12 (0.53) HEXAHEXBLMNAHPGDTSHR
SCHEMBL25145160 0.64 ALDH1A1 (0.41) TP53HPGDTSHRALDH1A1CNR2
SCHEMBL15700116 0.63 KDM4E (0.46) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL25145277 0.63 CNR2 (0.48) MCL1TP53TSHRALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1333800-A2 SKIN CONDITIONING COMPOSITIONS CONTAINING COMPOUNDS FOR MIMICKING THE EFFECT ON SKIN OF RETINOIC ACID UNILEVER PLC (GB) 2003-08-13 EP disclosed
WO-2002002074-A2 SKIN CONDITIONING COMPOSITIONS CONTAINING COMPOUNDS FOR MIMICKING THE EFFECT ON SKIN OF RETINOIC ACID UNILEVER PLC (GB) 2002-01-10 WO disclosed