SCHEMBL9870637

SCHEMBL9870637

C[C@@H](C[C@H](C)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
LMNA P02545 1/20 0.45
LTA4H P09960 2/20 0.42
CA4 P22748 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SLC6A4 P31645 1/20 0.41
MAOA P21397 2/20 0.41
PTGS1 P23219 1/20 0.41
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 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
SCHEMBL9870647 1.00 MTNR1A (0.53) MTNR1AMTNR1BLMNALTA4HCA4
SCHEMBL16254957 0.91 MTNR1A (0.55) MTNR1AMTNR1BLMNALTA4HKDM4E
SCHEMBL23586068 0.89 MTNR1A (0.46) MTNR1AMTNR1BLMNALTA4HSLC6A4
SCHEMBL9770209 0.89 MTNR1A (0.49) MTNR1AMTNR1BLMNALTA4HCA4
SCHEMBL14681530 0.87 LMNA (0.53) MTNR1AMTNR1BLMNALTA4HCYP1A2
SCHEMBL1142634 0.87 LMNA (0.53) MTNR1AMTNR1BLMNALTA4HCYP1A2
SCHEMBL11327496 0.87 LMNA (0.53) MTNR1AMTNR1BLMNALTA4HCYP1A2
SCHEMBL14681592 0.87 MTNR1A (0.47) MTNR1AMTNR1BLMNALTA4HSLC6A4
SCHEMBL14681486 0.87 MTNR1A (0.47) MTNR1AMTNR1BLMNALTA4HSLC6A4
SCHEMBL9870750 0.87 CYP1A2 (0.56) MTNR1AMTNR1BMAOACYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043094-A Optically active bisaryl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-08-27 US claimed
JP-1258635-A None JP disclosed
US-5043094-A Optically active bisaryl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-08-27 US disclosed
JP-H01258635-A OPTICALLY ACTIVE BISARYL COMPOUND ADEKA ARGUS CHEM CO LTD 1989-10-16 JP disclosed