SCHEMBL9745453

SCHEMBL9745453

O=C1CC(c2ccccc2)C(C(=O)O)N1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 2/20 0.57
MAPT P10636 2/20 0.39
HDAC4 P56524 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 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
SCHEMBL9745628 1.00 ALDH1A1 (0.59) ALDH1A1LMNANPSR1MAPTHDAC4
SCHEMBL9745446 1.00 ALDH1A1 (0.59) ALDH1A1LMNANPSR1MAPTHDAC4
SCHEMBL27415403 0.85 ALDH1A1 (0.46) ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL16055833 0.85 ALDH1A1 (0.46) ALDH1A1LMNANPSR1
SCHEMBL27415402 0.85 ALDH1A1 (0.46) ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL27492313 0.85 ALDH1A1 (0.52) ALDH1A1LMNANPSR1GAAKDM4E
SCHEMBL27492314 0.85 ALDH1A1 (0.52) ALDH1A1LMNANPSR1GAAKDM4E
SCHEMBL8744093 0.82 ALDH1A1 (0.60) ALDH1A1LMNANPSR1SMN1; SMN2KDM4E
SCHEMBL6768435 0.79 NPSR1 (0.57) ALDH1A1LMNANPSR1MAPTGAA
SCHEMBL27509442 0.79 TDP1 (0.48) ALDH1A1LMNAMAPTGAASMN1; SMN2

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-5151497-A Central nervous system disorders, antidepressants, epilepsy and cognition activators JAPAN TOBACCO INC. (JP) 1992-09-29 US disclosed