SCHEMBL8319482

SCHEMBL8319482

CCC(Cc1cccc2c1OCO2)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.43
FAAH O00519 1/20 0.42
MTNR1A P48039 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
PPARG P37231 2/20 0.41
MT-CO2 P00403 1/20 0.40
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA1 P30542 1/20 0.39
LMNA P02545 1/20 0.39
NR4A2 P43354 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
SCHEMBL7377233 0.94 KDM4C (0.47) KDM4CFAAHMTNR1ASMN1; SMN2ALDH1A1
SCHEMBL18241014 0.84 PPARG (0.43) PPARGNR4A2
SCHEMBL7444911 0.83 HRH4 (0.44) KDM4CFAAHMTNR1ASMN1; SMN2MEN1
SCHEMBL16815231 0.81 KDM4C (0.46) KDM4CFAAHMTNR1ASMN1; SMN2ALDH1A1
SCHEMBL16815337 0.81 KDM4C (0.46) KDM4CFAAHMTNR1ASMN1; SMN2ALDH1A1
SCHEMBL11759166 0.79 NOS3 (0.46) KDM4CFAAHMTNR1AMEN1ALDH1A1
SCHEMBL11759170 0.79 NOS3 (0.46) KDM4CFAAHMTNR1AMEN1ALDH1A1
SCHEMBL9471736 0.76 KDM4C (0.43) KDM4CFAAHMTNR1ASMN1; SMN2MEN1
SCHEMBL2602430 0.76 EED (0.46) KDM4CFAAHMTNR1ASMN1; SMN2MGAM
SCHEMBL19502669 0.76 CYP1A2 (0.57) MEN1KMT2APPARGNR4A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981541-A ACRIDINE DERIVATIVES; ANTICANCER AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-11-09 US disclosed
EP-0950054-A1 SUBSTITUTED HETEROCYCLES AS ANTI-TUMOR AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-10-20 EP disclosed
WO-1998012181-A1 SUBSTITUTED HETEROCYCLES AS ANTI-TUMOR AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-03-26 WO disclosed