SCHEMBL8551902

SCHEMBL8551902

CON(c1ccccc1)C(C)(C)OC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.32
CA4 P22748 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL12562393 0.82 KCNN4 (0.36) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL27130312 0.76 MEN1 (0.38) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL1114389 0.75 KMT2A (0.40) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL210129 0.71 CA4 (0.41) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL18651744 0.70 MEN1 (0.32) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL4893317 0.70 KCNN4 (0.42) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL4894696 0.70 KCNN4 (0.42) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL9507537 0.70 MEN1 (0.39) MEN1KMT2ACYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL21273293 0.69 CA4 (0.39) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL27595853 0.69 CA4 (0.39) MEN1KMT2ACYP3A4CYP2C9CYP2C19

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-5780245-A SEROTONIN AGONISTS AND ANTAGONISTS; TREATMENT OF CARDIOVASCULAR DISORDERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-07-14 US disclosed
EP-0665885-A1 POLYPEPTIDES (5HT2C) HAVING A SEROTONINERGIC RECEPTOR ACTIVITY AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1995-08-09 EP disclosed
WO-1994009130-A1 POLYPEPTIDES (5HT2C) HAVING A SEROTONINERGIC RECEPTOR ACTIVITY AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-04-28 WO disclosed