SCHEMBL7510595

SCHEMBL7510595

CCCC1(C(=O)O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CYP3A4 P08684 1/20 0.35
SLC10A2 Q12908 4/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL4183418 0.88 PPARG (0.39) CES2CES1
SCHEMBL4184927 0.88 PPARG (0.39) CES2CES1
SCHEMBL4181876 0.88 PPARG (0.39) CES2CES1
SCHEMBL10440676 0.88 PPARG (0.39) CES2CES1
SCHEMBL9746013 0.88 PPARG (0.39) CES2CES1
SCHEMBL2157188 0.87 CYP3A4 (0.36) KDM1AMAOAMAOBCYP3A4TSHR
SCHEMBL4459325 0.80 HTR2C (0.36) KDM1AMAOBCYP3A4MEN1KMT2A
SCHEMBL21043746 0.79 MAPT (0.40) KDM1ACYP3A4TSHRMEN1KMT2A
SCHEMBL11211134 0.79 TDP1 (0.36) CYP3A4TSHRMEN1KMT2AMAPT
SCHEMBL8780385 0.78 PPARG (0.39) CES2CES1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP disclosed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO disclosed