SCHEMBL8356587

SCHEMBL8356587

c1ccc(OOCC2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 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
SCHEMBL8356592 0.80 PARP15 (0.57) PARP15PARP10
SCHEMBL31268338 0.78 PARP15 (0.56) PARP15PARP10
SCHEMBL10533845 0.78 PARP15 (0.56) PARP15PARP10
SCHEMBL11937133 0.74 KMT2A (0.60) ALDH1A1MAPTHTTSMN1; SMN2PARP15
SCHEMBL28729859 0.73 VCP (0.38) VCPMETAP2METAP1ALDH1A1MAPT
SCHEMBL18616178 0.72 LTA4H (0.62) ALDH1A1MAPTALOX12HTTSMN1; SMN2
SCHEMBL28653078 0.72 VCP (0.35) VCPMETAP2METAP1ALDH1A1MAPT
SCHEMBL20472563 0.72 OPRM1 (0.41)
SCHEMBL11682621 0.71 CTSL (0.41) PARP15PARP10
SCHEMBL726735 0.71 TDP1 (0.66) ALDH1A1MAPTSMN1; SMN2

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
JP-11228570-A None JP disclosed
JP-H11228570-A 5-(SUBSTITUTED PHENYL)-4-(3-INDOLYL)IMIDAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 1999-08-24 JP disclosed