SCHEMBL11580223

SCHEMBL11580223

c1ccc(OCC2CC3CCC2C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.49
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
FFAR4 Q5NUL3 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HPGD P15428 1/20 0.39
LTA4H P09960 3/20 0.38

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
SCHEMBL2204815 0.78 MAOA (0.46) MCHR1TDP1HPGD
SCHEMBL19068126 0.78 MCHR1 (0.48) MCHR1
SCHEMBL21549620 0.77 HTR2A (0.46) MCHR1HTR2AHTR2CSLC6A4HPGD
SCHEMBL18003804 0.77 MCHR1 (0.41) MCHR1KMT2AHTR2AHTR2CSLC6A4
SCHEMBL12093079 0.77 TDP1 (0.48) TDP1
SCHEMBL6769410 0.76 MCHR1 (0.50) MCHR1KMT2AHPGD
SCHEMBL23004896 0.74 MCHR1 (0.51) MCHR1KMT2ATDP1HPGD
SCHEMBL19229904 0.73 LTA4H (0.41) MCHR1FFAR4HTR2ALTA4H
SCHEMBL19068516 0.73 MCHR1 (0.47) MCHR1KMT2AHPGD
SCHEMBL16241618 0.73 HPGD (0.46) TDP1HTR2AHTR2CSLC6A4HPGD

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-4112000-A BACTERIOSTATS MAR-PHA, SOCIETE D'ETUDE ET D'EXPLOITATION DE MARQUES (FR) 1978-09-05 US disclosed