SCHEMBL8716435

SCHEMBL8716435

[CH]1CCC(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
KDM1A O60341 3/20 0.45
MAOB P27338 1/20 0.45
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
BRD4 O60885 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MMP3 P08254 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL27414381 1.00 RAB9A (0.56) RAB9ANPC1KDM1AMAOBSLC18A3
SCHEMBL60704 0.86 SLC18A3 (0.56) SLC18A3SIGMAR1KMT2ASMN1; SMN2
SCHEMBL15757454 0.86 NPC1 (0.70) RAB9ANPC1KDM1AMAOBSLC18A3
Ammonia Solution, Strong SCHEMBL2454353 0.84 NPC1 (0.68) RAB9ANPC1KDM1AMAOBSLC18A3
SCHEMBL14880676 0.82 NPC1 (0.60) RAB9ANPC1KDM1AMAOBSLC18A3
SCHEMBL15758248 0.82 NPC1 (0.60) RAB9ANPC1KDM1AMAOBSLC18A3
SCHEMBL9291496 0.81 SLC18A3 (0.41) RAB9ANPC1KDM1AMAOBSLC18A3
SCHEMBL537001 0.80 NPC1 (0.58) RAB9ANPC1KDM1AMAOBSLC18A3
SCHEMBL18561699 0.80 NPC1 (0.58) RAB9ANPC1KDM1AMAOBSLC18A3
Fluoride SCHEMBL28559395 0.80 NPC1 (0.58) RAB9ANPC1KDM1AMAOBSLC18A3

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
US-5843992-A Epoxysuccinic acid derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1998-12-01 US disclosed