SCHEMBL7446294

SCHEMBL7446294

O=C(O)CCC(=NO)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
HIF1A Q16665 2/20 0.43
FFAR1 O14842 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS1 P23219 3/20 0.43
MEN1 O00255 2/20 0.43
PTGS2 P35354 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
FABP2 P12104 1/20 0.43
TSHR P16473 1/20 0.43
AKR1C4 P17516 1/20 0.43
ADRA2B P18089 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL7446292 1.00 S1PR1 (0.44) S1PR1LMNACYP1A2HIF1AFFAR1
SCHEMBL7440277 0.90 ALDH1A1 (0.43) S1PR1LMNAHIF1AMEN1PTGS2
SCHEMBL7440265 0.90 ALDH1A1 (0.43) S1PR1LMNAHIF1AMEN1PTGS2
SCHEMBL7436657 0.90 PTAFR (0.42) S1PR1LMNACYP1A2HIF1AFFAR1
SCHEMBL7436652 0.90 PTAFR (0.42) S1PR1LMNACYP1A2HIF1AFFAR1
SCHEMBL7433362 0.89 APP (0.44) S1PR1LMNAHIF1AMEN1KMT2A
SCHEMBL7433367 0.89 APP (0.44) S1PR1LMNAHIF1AMEN1KMT2A
SCHEMBL7437752 0.89 ALDH1A1 (0.39) S1PR1LMNACYP1A2HIF1AFFAR1
SCHEMBL7437756 0.89 ALDH1A1 (0.39) S1PR1LMNACYP1A2HIF1AFFAR1
SCHEMBL7448419 0.88 ALDH1A1 (0.47) S1PR1LMNACYP1A2HIF1AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169103-B1 FOR TREATMENT OF ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURISM, HEART FAILURE, ULCERS, CANCER, INFLAMMATION, PAIN, ARTHRITIS, OSTEOPOROSIS, AND OTHER AUTOIMMUNE OR INFLAMMATORY DISORDERS DEPENDENT UPON TISSUE INVASION BY LEUKOCYTES WARNER-LAMBERT 2001-01-02 US claimed
US-6265432-B1 CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT 2001-07-24 US disclosed
US-6169103-B1 FOR TREATMENT OF ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURISM, HEART FAILURE, ULCERS, CANCER, INFLAMMATION, PAIN, ARTHRITIS, OSTEOPOROSIS, AND OTHER AUTOIMMUNE OR INFLAMMATORY DISORDERS DEPENDENT UPON TISSUE INVASION BY LEUKOCYTES WARNER-LAMBERT 2001-01-02 US disclosed