SCHEMBL8035116

SCHEMBL8035116

COc1cccc(CCN)c1.O=C(O)c1ccc(-c2ccccc2)cc1.O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MAOB P27338 3/20 0.45
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
TAS2R14 Q9NYV8 2/20 0.41
HSD17B2 P37059 1/20 0.41
NR4A2 P43354 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
Benzoic Acid SCHEMBL7800774 0.94 TAAR1 (0.50) KDM4EMEN1KMT2ATAAR1ALDH1A1
4-Methylbenzoic Acid SCHEMBL7792499 0.92 TAAR1 (0.47) PTGESALOX5KDM4EMEN1KMT2A
SCHEMBL7798027 0.91 KDM4E (0.46) KDM4EMEN1KMT2ATAAR1MAOB
SCHEMBL8035858 0.91 MAOB (0.46) KDM4ETAAR1MAOBRXRARXRB
Phenethylamine SCHEMBL7799179 0.88 RXRA (0.52) KDM4EMEN1KMT2ATAAR1MAOB
Benzoic Acid SCHEMBL7800370 0.88 MEN1 (0.53) KDM4EMEN1KMT2ATAAR1MAOB
SCHEMBL7800097 0.87 TAAR1 (0.61) KDM4EMEN1KMT2ATAAR1MAOB
SCHEMBL7798405 0.87 SMN1; SMN2 (0.46) KDM4ERXRARXRBRXRGALDH1A1
SCHEMBL7798437 0.86 SRD5A2 (0.47) PTGESALOX5MEN1KMT2AMAOB
Benzoic Acid SCHEMBL8035799 0.84 TAAR1 (0.44) KDM4EMEN1KMT2ATAAR1MAOB

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-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed