SCHEMBL7969814

SCHEMBL7969814

CCC1(C(=O)O)CC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
HTR2C P28335 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
P2RY14 Q15391 2/20 0.39
TSHR P16473 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
SCHEMBL21065308 0.83 KDM1A (0.44) KDM1ARCOR1
SCHEMBL21065268 0.81 ESR2 (0.41) TSHR
SCHEMBL31154384 0.81 MGLL (0.40) KDM1ARCOR1HTR2CP2RY14
SCHEMBL21065262 0.78 ALDH1A1 (0.43) TSHR
SCHEMBL28532293 0.72 KDM1A (0.41) KDM1ARCOR1HTR2CGPBAR1P2RY14
SCHEMBL31154403 0.70 CCR2 (0.37)
SCHEMBL31154393 0.70 CCR2 (0.37)
SCHEMBL18627834 0.70 KDM1A (0.41) KDM1ARCOR1GPBAR1TSHR
SCHEMBL38656819 0.68 NOTUM (0.49) HTR2CP2RY14
SCHEMBL19403587 0.68 KDM1A (0.44) KDM1ARCOR1HTR2C

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