SCHEMBL8936336

SCHEMBL8936336

CC1(c2ccc([N+](=O)[O-])cc2)CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTR1E P28566 1/20 0.46
S1PR3 Q99500 1/20 0.46
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
ACHE P22303 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MDM2 Q00987 1/20 0.38
PARL Q9H300 1/20 0.37
MMP2 P08253 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
SCHEMBL5253993 0.78 CCR2 (0.49) KMT2AALDH1A1LMNA
SCHEMBL963045 0.78 MEN1 (0.42) MEN1KMT2ACYP2C9ALDH1A1LMNA
SCHEMBL26218806 0.75 MAPT (0.49) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL26218807 0.74 MAPT (0.48) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL19586439 0.73 CRBN (0.51) MEN1KMT2AACHEHSD17B10CYP3A4
SCHEMBL9110057 0.72 HSD17B10 (0.48) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL512374 0.72 MEN1 (0.44) MEN1KMT2ACYP2C9ALDH1A1MMP2
SCHEMBL13093643 0.71 HSD17B10 (0.44) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL9812380 0.71 HSD17B10 (0.52) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL30480602 0.71 ALDH1A1 (0.45) MAPTCYP2C19ALDH1A1LMNAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0637296-A4 NON-STEROID PROGESTERONE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS AND METHODS. LIGAND PHARM INC (US) 1996-02-07 EP claimed
WO-1995011215-A1 NON-STEROID ANDROGEN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1995-04-27 WO claimed
EP-0637296-A1 NON-STEROID PROGESTERONE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1995-02-08 EP claimed
CN-116371466-B Molecularly imprinted polymer modified magnetic immobilized tryptophan catalyst and preparation method and application thereof 西安交通大学 2024-06-07 CN disclosed
CN-116371466-A Molecularly imprinted polymer modified magnetic immobilized tryptophan catalyst and preparation method and application thereof 西安交通大学 2023-07-04 CN disclosed
EP-0637296-A4 NON-STEROID PROGESTERONE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS AND METHODS. LIGAND PHARM INC (US) 1996-02-07 EP disclosed
EP-0637296-A1 NON-STEROID PROGESTERONE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1995-02-08 EP disclosed