Phosphoric Acid

SCHEMBL9856970

CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(N(C2CCCCC2)C2CCCCC2)cc1)c1ccc(C(C)C)cc1.CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(N(C2CCCCC2)C2CCCCC2)cc1)c1ccc(C(C)C)cc1.CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(N(C2CCCCC2)C2CCCCC2)cc1)c1ccc(C(C)C)cc1.O=P(O)(O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRB1 ADRB2 ADRB3 CYP11B1 DPP4 FGFR1 FGFR2 FGFR3 FGFR4 HRH1 JAK1 JAK2 JAK3 KCNA1 KCNA10 KCNA2 KCNA3 KCNA4 KCNA5 KCNA6 KCNA7 KCNB1 KCNB2 KCNC1 KCNC2 KCNC3 KCNC4 KCND1 KCND2 KCND3 KCNF1 KCNG1 KCNG2 KCNG3 KCNG4 KCNH1 KCNH2 KCNH3 KCNH4 KCNH5 KCNH6 KCNH7 KCNH8 KCNQ1 KCNQ2 KCNQ3 KCNQ4 KCNQ5 KCNS1 KCNS2 KCNS3 KCNV1 KCNV2 KDR KIT NA OPRD1 OPRK1 OPRM1 P PDGFRB PIK3CD SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SMO TYK2 pol rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB2 known ✓	P07550	1/20	0.52

▸	ADRB1 known ✓	P08588	1/20	0.52

▸	ADRB3 known ✓	P13945	1/20	0.52

▸	ADRA1D known ✓	P25100	1/20	0.52

▸	OPRM1 known ✓	P35372	1/20	0.52

▸	OPRD1 known ✓	P41143	1/20	0.52

▸	OPRK1 known ✓	P41145	1/20	0.52

▸	KCNH2 known ✓	Q12809	1/20	0.52

▸	ESR1	P03372	9/20	0.52

▸	ESR2	Q92731	5/20	0.52

▸	MAPT	P10636	3/20	0.52

▸	MEN1	O00255	3/20	0.52

▸	TP53	P04637	3/20	0.52

▸	CYP3A4	P08684	3/20	0.52

▸	KMT2A	Q03164	3/20	0.52

▸	PGR	P06401	2/20	0.52

▸	ESRRG	P62508	2/20	0.52

▸	CYP1A2	P05177	2/20	0.52

▸	CYP2D6	P10635	2/20	0.52

▸	NPC1	O15118	1/20	0.52

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.

Compound	similarity	top predicted	shared targets
Phosphoric Acid SCHEMBL9856957	1.00	ESR1 (0.52)	ESR1ESR2MAPTMEN1TP53
Phosphoric Acid SCHEMBL9856962	1.00	ESR1 (0.52)	ESR1ESR2MAPTMEN1TP53
Miproxifene SCHEMBL3781209	0.84	ESR1 (0.69)	ESR1ESR2MAPTMEN1TP53
Miproxifene SCHEMBL430163	0.84	ESR1 (0.69)	ESR1ESR2MAPTMEN1TP53
Miproxifene SCHEMBL3781215	0.84	ESR1 (0.69)	ESR1ESR2MAPTMEN1TP53
SCHEMBL9856952	0.82	ESR1 (0.50)	ESR1ESR2MAPTMEN1TP53
SCHEMBL8915491	0.82	ESR1 (0.61)	ESR1ESR2MAPTMEN1TP53
SCHEMBL3781211	0.82	ESR1 (0.61)	ESR1ESR2MAPTMEN1TP53
SCHEMBL2087896	0.82	ESR1 (0.61)	ESR1ESR2MAPTMEN1TP53
SCHEMBL9857866	0.81	ESR1 (0.62)	ESR1ESR2MAPTMEN1TP53

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0272330-B1	1,1,2-TRIARYL-1-BUTENE DERIVATIVES	TAIHO PHARMACEUTICAL COMPANY LIMITED (JP)	1991-05-22	—	—	EP	disclosed
US-4897503-A	ANTITUMOR AGENTS; TREATING MAMMARY CANCER AND ANOVULATORY INFERTILITY	TAIHO PHARMACEUTICAL (JP)	1990-01-30	—	—	US	disclosed
EP-0272330-A1	1,1,2-TRIARYL-1-BUTENE DERIVATIVES	TAIHO PHARMACEUTICAL COMPANY LIMITED (JP)	1988-06-29	—	—	EP	disclosed