SCHEMBL9562908

SCHEMBL9562908

CCCCc1[nH]cc(C)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
HCAR2 Q8TDS4 4/20 0.41
ALDH1A1 P00352 2/20 0.39
HCAR3 P49019 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL2973655 0.93 NOTUM (0.57) NOTUMHCAR2CYP3A4BIDMCL1
SCHEMBL11860616 0.85 NOTUM (0.61) NOTUMHCAR2ALDH1A1KDM4ELMNA
SCHEMBL27259271 0.83 APLNR (0.44) NOTUMALDH1A1KDM4EMEN1LMNA
SCHEMBL16417100 0.79 NOTUM (0.50) NOTUMHCAR2HCAR3LMNACYP3A4
SCHEMBL11119413 0.78 NOTUM (0.57) NOTUMALDH1A1KDM4EMEN1LMNA
SCHEMBL11769101 0.77 KAT8 (0.43) HCAR2ALDH1A1HCAR3RARBBID
SCHEMBL21408322 0.74 PTPN1 (0.47) NOTUMHCAR2BIDMCL1BCL2L1
SCHEMBL16416430 0.72 NOTUM (0.46) NOTUMALDH1A1KDM4EPPARA
SCHEMBL14989307 0.72 FFAR1 (0.44) HCAR2ALDH1A1HCAR3KDM4EMEN1
SCHEMBL11114754 0.72 FFAR1 (0.44) HCAR2ALDH1A1HCAR3KDM4EMEN1

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-5271392-A None JP disclosed
JP-H05271392-A PRODUCTION OF SUBSTITUTED PYRROLE POLYMER NIPPON SODA CO LTD 1993-10-19 JP disclosed