SCHEMBL9445937

SCHEMBL9445937

CCC(CC)(c1ccccc1CBr)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.36
ACP3 P15309 2/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN5 P54829 1/20 0.34
MAPT P10636 1/20 0.32
RIPK1 Q13546 1/20 0.32
PTPN1 P18031 1/20 0.32
POLQ O75417 1/20 0.31

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
SCHEMBL1585204 0.84 TSHR (0.41) FDPSACP3TSHRALDH1A1MEN1
SCHEMBL6703082 0.79 TSHR (0.38) FDPSACP3TSHRALDH1A1MEN1
SCHEMBL10348803 0.78 KMT2A (0.44) TSHRALDH1A1MEN1GAAPKM
SCHEMBL1035151 0.77 PGK1 (0.39) FDPSACP3GABRA1GABRB2TSHR
SCHEMBL7194498 0.77 PTPN1 (0.47) PTPN5PTPN1
SCHEMBL3890478 0.77 GABRA1 (0.42) FDPSACP3GABRA1GABRB2TSHR
SCHEMBL29024532 0.76 ACP3 (0.41) ACP3GAAKMT2APTPN5PTPN1
SCHEMBL2034011 0.76 FDPS (0.45) FDPSACP3TSHRALDH1A1MEN1
SCHEMBL11762883 0.75 ACP3 (0.48) FDPSACP3GABRA1GABRB2TSHR
SCHEMBL3346090 0.73 ACP3 (0.61) ACP3MEN1KMT2APTPN1

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-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 US disclosed
EP-0242709-A2 Antagonists of specific excitatory amino acid neurotransmitter receptors NOVA PHARMACEUTICAL CORPORATION (US) 1987-10-28 EP disclosed
WO-1987006131-A1 ANTAGONISTS OF SPECIFIC EXCITATORY AMINO ACID NEUROTRANSMITTER RECEPTORS RZESZOTARSKI JANUSZ WACLAW (US) 1987-10-22 WO disclosed
US-4657899-A ANALGESICS, COGNITION ACTIVATORS NOVA PHARMACEUTICAL CORPORATION (US) 1987-04-14 US disclosed