SCHEMBL7324904

SCHEMBL7324904

CC1(C)Oc2ccc(C(=O)c3ccccc3)cc2C(O)C1Br

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.51
CNR2 P34972 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
IDO1 P14902 1/20 0.41
CNR1 P21554 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNA5 P22460 1/20 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
SCHEMBL7328327 0.84 ABCC9 (0.43) ABCC9IDO1HPGD
SCHEMBL9195110 0.83 ABCC9 (0.40) ABCC9IDO1
SCHEMBL9195128 0.83 ABCC9 (0.40) ABCC9IDO1
SCHEMBL9195123 0.83 ABCC9 (0.40) ABCC9IDO1
SCHEMBL9869526 0.81 SMN1; SMN2 (0.39) ABCC9CNR2IDO1KCNA5
SCHEMBL9869515 0.81 SMN1; SMN2 (0.39) ABCC9CNR2IDO1KCNA5
SCHEMBL9313743 0.80 ACHE (0.38) ABCC9IDO1
SCHEMBL482263 0.80 ABCC9 (0.49) ABCC9CNR2NPC1RAB9ACNR1
SCHEMBL482265 0.80 ABCC9 (0.49) ABCC9CNR2NPC1RAB9ACNR1
SCHEMBL4715927 0.80 ABCC9 (0.49) ABCC9CNR2NPC1RAB9ACNR1

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
EP-0355565-A1 6-Benzoyl-substituted 3,4-dihydro-2H-benzopyranes, method for their preparation and pharmaceutical preparations based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-28 EP disclosed