SCHEMBL7991192

SCHEMBL7991192

C[C](C)CC1=CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.42
ALDH1A1 P00352 6/20 0.41
ALOX15 P16050 3/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 7/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
EPHX1 P07099 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL66707 0.98 ALDH1A1 (0.42) CXCR3ALDH1A1ALOX15PKMSMN1; SMN2
SCHEMBL7994833 0.91
SCHEMBL4635955 0.81 ALDH1A1 (0.40) CXCR3ALDH1A1ALOX15PKMSMN1; SMN2
SCHEMBL722436 0.81 ALDH1A1 (0.44) ALDH1A1ALOX15PKMSMN1; SMN2NPC1
SCHEMBL27927911 0.79 ALDH1A1 (0.39) CXCR3ALDH1A1ALOX15PKMSMN1; SMN2
SCHEMBL10568015 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL22607754 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL22607753 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL10568010 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL10569720 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2NPC1RAB9A

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-6277790-B1 APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT BASF AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed