SCHEMBL8950647

SCHEMBL8950647

CNCCc1ccc2c(c1)OOC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
GFER P55789 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9735580 0.84 ATM (0.44) MAPTTP53CYP1A2ALOX15TSHR
SCHEMBL7317921 0.83 LOXL2 (0.35) MAPTTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL6979656 0.78 TAAR1 (0.33) TAAR1CHRM2CHRM1CHRM3
SCHEMBL9752268 0.78 TDP1 (0.33) TAAR1CHRM2CHRM1CHRM3
SCHEMBL15902430 0.75 TAAR1 (0.57) TAAR1SIGMAR1
SCHEMBL113567 0.75 TAAR1 (0.57) TAAR1SIGMAR1
SCHEMBL10752702 0.75 CYP3A4 (0.43) MAPTTP53CYP1A2MAPK1KDM4E
SCHEMBL9424396 0.75 ALOX5 (0.40) SMN1; SMN2ADRB2
SCHEMBL6853638 0.74 CA12 (0.33)
SCHEMBL9669770 0.74 CYP1A2 (0.30) MAPTCYP1A2

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
US-5547967-A HYPOTENSIVE AGENT, ANTIISCHEMIC AGENT KALI-CHEMIE PHARMA GMBH (DE) 1996-08-20 US disclosed
US-5120759-A TETRAHYDRONAPHTHALENE DERIVATIVES FOR IMPROVING SHORT-TERM MEMORY HOFFMANN-LA ROCHE INC. (US) 1992-06-09 US disclosed