SCHEMBL26317429

SCHEMBL26317429

CC1Cc2ccc(C(=O)CCCl)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MCHR1 Q99705 4/20 0.39
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
CTNNB1 P35222 2/20 0.38
WNT3A P56704 2/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TBXA2R P21731 1/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL15927445 0.81 GSK3B (0.46) GAAMAPTRAB9ANPC1TDP1
SCHEMBL8255295 0.77 MAPT (0.38) HPGDGAAMAPTRAB9ANPC1
SCHEMBL5662017 0.76 ALDH1A1 (0.58) HPGDSMN1; SMN2MCHR1MAPTRAB9A
SCHEMBL21879204 0.76 CTNNB1 (0.61) HPGDSMN1; SMN2MCHR1MAPTRAB9A
SCHEMBL23753567 0.75 CNR1 (0.42) HPGDSMN1; SMN2MCHR1MAPTRAB9A
SCHEMBL6219159 0.74 EPHX2 (0.40) HPGDMAPTALDH1A1
SCHEMBL21318890 0.73 MAPT (0.36) HPGDGAAMAPTRAB9ANPC1
SCHEMBL5766935 0.73 NOTUM (0.49) MCHR1MAPTRAB9ANPC1
SCHEMBL4853275 0.73 MCHR1 (0.59) MCHR1MAPTCA12CA1CA2
SCHEMBL16716449 0.72 CHRNB2 (0.51) HPGDGAASMN1; SMN2MAPTRAB9A

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
WO-2023156311-A1 PROCESSES FOR THE PREPARATION OF 1,2,3,5,6,7-HEXAHYDRO-S-INDACENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-08-24 WO disclosed