SCHEMBL9686038

SCHEMBL9686038

Cc1ccc(Cc2ccc3[nH]c(=O)sc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
MAPT P10636 1/20 0.45
HTR1A P08908 5/20 0.43
HTR2C P28335 5/20 0.43
P2RX3 P56373 1/20 0.41
PGR P06401 1/20 0.41
DAO P14920 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
CMA1 P23946 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL9205683 0.85 HTR1A (0.53) PDE3BPDE3AMAPTHTR1AHTR2C
SCHEMBL435577 0.84 PDE3B (0.59) ALDH1A1PKMPDE3BPDE3AMAPT
SCHEMBL9685648 0.84 CMA1 (0.56) ALDH1A1PDE3BPDE3AMAPTHTR1A
SCHEMBL9685728 0.83 PDE3B (0.69) ALDH1A1PDE3BPDE3AMAPTHTR1A
SCHEMBL9685633 0.80 KIF11 (0.51) PDE3BPDE3AMAPTHTR1AHTR2C
SCHEMBL9204486 0.80 MAPT (0.59) ALDH1A1PKMPDE3BPDE3AMAPT
SCHEMBL9686113 0.79 PGR (0.50) ALDH1A1PDE3BPDE3AMAPTHTR1A
SCHEMBL9484426 0.78 PDE3B (0.68) ALDH1A1PKMPDE3BPDE3AMAPT
SCHEMBL9685980 0.77 SMN1; SMN2 (0.55) ALDH1A1PDE3BPDE3AMAPTHTR1A
SCHEMBL9684901 0.77 PDE3B (0.51) PDE3BPDE3AMAPTHTR1AHTR2C

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-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed