SCHEMBL7975852

SCHEMBL7975852

O=C1C=C(c2cccc(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ESR2 Q92731 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
NOTUM Q6P988 1/20 0.39
ATM Q13315 1/20 0.39
GALR1 P47211 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
SCHEMBL9081715 0.78 L3MBTL1 (0.39) NCOA1NCOA3L3MBTL1PTGS2ATM
SCHEMBL8706880 0.78 NCOA1 (0.44) NCOA1NCOA3L3MBTL1ATM
SCHEMBL7973057 0.78 HSD11B1 (0.36) PTGS1
SCHEMBL731336 0.78 NPC1 (0.50)
SCHEMBL16070836 0.75 PARP10 (0.40) PARP10PARP11CHRNB4CHRNA3TAAR1
SCHEMBL14102137 0.74 CLK4 (0.45) NOTUM
SCHEMBL9059926 0.73 NCOA1 (0.45) NCOA1NCOA3
SCHEMBL9377901 0.72 CHRNB4 (0.46) PARP10PARP11CHRNB4CHRNA3TAAR1
SCHEMBL17135811 0.70 ACHE (0.42) PARP10PARP11CHRNB4CHRNA3TAAR1
SCHEMBL728745 0.70 GSTP1 (0.50) ESR2NOTUM

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