SCHEMBL13201460

SCHEMBL13201460

CCc1csc2ccc(COO)cc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.51
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MTNR1B P49286 4/20 0.39
HTR5A P47898 1/20 0.38
FFAR1 O14842 1/20 0.37
CYP2A6 P11509 2/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL10224643 0.83 MTNR1A (0.62) MTNR1AKEAP1NFE2L2MTNR1BHTR5A
SCHEMBL8435916 0.74 KEAP1 (0.64) MTNR1AKEAP1NFE2L2MTNR1B
SCHEMBL8884003 0.74 MTNR1A (0.56) MTNR1AKEAP1NFE2L2MTNR1BHTR5A
SCHEMBL10266973 0.73 CA2 (0.60) MTNR1AKEAP1NFE2L2CYP2A6CA2
SCHEMBL8605628 0.73 MTNR1A (0.59) MTNR1AKEAP1NFE2L2MTNR1BHTR5A
SCHEMBL8605002 0.73 MTNR1A (0.55) MTNR1AKEAP1NFE2L2MTNR1B
SCHEMBL21887498 0.71 MTNR1A (0.43) MTNR1AKEAP1NFE2L2MTNR1BCYP2A6
SCHEMBL6003503 0.71 MTNR1A (0.60) MTNR1AKEAP1NFE2L2MTNR1BCYP2A6
SCHEMBL156931 0.71 CYP2A6 (0.69) MTNR1AKEAP1NFE2L2CYP2A6CA2
SCHEMBL12820174 0.71 MTNR1A (0.43) MTNR1AKEAP1NFE2L2MTNR1BCYP2A6

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-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed