SCHEMBL7990122

SCHEMBL7990122

COCC(=O)C(=Cc1ccc(F)c(F)c1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.45
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
CA12 O43570 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7990119 1.00 NR1H4 (0.45) NR1H4KMT2AMEN1ALDH1A1GRIN1
SCHEMBL6787162 0.86 NR1H4 (0.48) NR1H4KMT2AMEN1ALDH1A1GRIN1
SCHEMBL6196704 0.83 MAPT (0.39) KMT2AMEN1LMNAMAPTCYP1A2
SCHEMBL6786973 0.83 MAPT (0.39) KMT2AMEN1LMNAMAPTCYP1A2
SCHEMBL6198499 0.79 MAPT (0.37) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL6198492 0.79 MAPT (0.37) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL6643040 0.78 NR1H4 (0.47) NR1H4KMT2AMEN1ALDH1A1LMNA
SCHEMBL6643038 0.78 NR1H4 (0.47) NR1H4KMT2AMEN1ALDH1A1LMNA
SCHEMBL13826359 0.74 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL11452074 0.72 KMT2A (0.77) NR1H4KMT2AMEN1ALDH1A1LMNA

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-6228861-B1 BENIGN PROSTATIC HYPERPLASIA; ANTICHOLESTEROL AGENTS; IMPOTENCY; INTRAOCULAR PRESSURE; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-08 US disclosed
EP-0866708-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1999-05-06 EP disclosed
EP-0866708-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017969-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-22 WO disclosed