SCHEMBL7970858

SCHEMBL7970858

CCC1(C(=O)O)CC(c2ccco2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.42
KDM4E B2RXH2 6/20 0.42
POLB P06746 6/20 0.41
TDP1 Q9NUW8 5/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
APEX1 P27695 1/20 0.40
ESR2 Q92731 1/20 0.40
RECQL P46063 3/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 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
SCHEMBL21065268 0.70 ESR2 (0.41) KDM4EESR2ALDH1A1ESR1TSHR
SCHEMBL7971319 0.70 OPRM1 (0.40) KDM4EPOLBTDP1NPSR1MAPT
SCHEMBL21065308 0.69 KDM1A (0.44) POLBLMNA
SCHEMBL28061139 0.67 POLB (0.44) KDM4EPOLBTDP1NPSR1MAPT
SCHEMBL12648261 0.67 POLB (0.54) ADORA2BKDM4EPOLBTDP1NPSR1
SCHEMBL21065262 0.67 ALDH1A1 (0.43) KDM4EMAPTKMT2ARECQLALDH1A1
SCHEMBL7970855 0.66 NPC1 (0.52) ADORA2BKDM4EPOLBTDP1NPSR1
SCHEMBL27322396 0.66 ADORA2B (0.41) ADORA2BKDM4EPOLBTDP1NPSR1
SCHEMBL7969814 0.66 KDM1A (0.48) TSHR
SCHEMBL17058826 0.65 POLB (0.37) ADORA2BKDM4EPOLBTDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 EP disclosed
EP-0559743-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE. PFIZER HOSPITAL PROD (US) 1993-09-15 EP disclosed
WO-1992009566-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER INC. (US) 1992-06-11 WO disclosed