SCHEMBL8035858

SCHEMBL8035858

COc1ccc(CCN)cc1.O=C(O)c1ccc(-c2ccccc2)cc1.O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.46
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TAAR1 Q96RJ0 1/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
PTPN11 Q06124 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTB4R Q15722 1/20 0.40
NR4A2 P43354 1/20 0.40

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 SCHEMBL8035799 0.94 TAAR1 (0.44) MAOBNPC1RAB9ATAAR1LPAR1
SCHEMBL7798437 0.91 SRD5A2 (0.47) MAOBRXRARXRBRXRGTRIM24
SCHEMBL8035116 0.91 PTGES (0.48) MAOBRXRARXRBRXRGTAAR1
SCHEMBL7802496 0.91 RXRA (0.46) MAOBRXRARXRBRXRGNPC1
4-Methylbenzoic Acid SCHEMBL8025639 0.90 TAAR1 (0.42) MAOBRXRARXRBRXRGNPC1
Phenethylamine SCHEMBL7799179 0.90 RXRA (0.52) MAOBRXRARXRBRXRGNPC1
SCHEMBL7798405 0.89 SMN1; SMN2 (0.46) RXRARXRBRXRGKDM4ETDP1
Tyramine SCHEMBL8035895 0.88 RXRA (0.48) MAOBRXRARXRBRXRGTAAR1
SCHEMBL7802656 0.87 RXRA (0.47) MAOBRXRARXRBRXRGRAB9A
Benzoic Acid SCHEMBL7798612 0.86 MAOB (0.51) MAOBNPC1RAB9ATAAR1KDM4E

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