SCHEMBL11657895

SCHEMBL11657895

CCOC(=O)[O-].CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ PIN1 Q13526 2/20 0.44
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MMP8 P22894 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11661701 0.87 KMT2A (0.46) MEN1KMT2ANPC1PIN1TSHR
Bicarbonate SCHEMBL1144353 0.85 CYP1A2 (0.50) MEN1KMT2ANPC1TSHRALDH1A1
Bicarbonate SCHEMBL11663344 0.85 CYP1A2 (0.50) MEN1KMT2ANPC1TSHRALDH1A1
Acetic Acid SCHEMBL328882 0.83 TSHR (0.48) MEN1KMT2ANPC1TSHRALDH1A1
Acetic Acid SCHEMBL133341 0.83 TSHR (0.48) MEN1KMT2ANPC1TSHRALDH1A1
Oxalic Acid SCHEMBL10577823 0.83 CYP1A2 (0.48) MEN1KMT2ANPC1TSHRALDH1A1
Acetic Acid SCHEMBL9467718 0.82 TSHR (0.47) MEN1KMT2ANPC1TSHRALDH1A1
Acetic Acid SCHEMBL328881 0.82 TSHR (0.47) MEN1KMT2ANPC1TSHRALDH1A1
Propionic Acid SCHEMBL1399930 0.82 CYP1A2 (0.47) MEN1KMT2ANPC1TSHRALDH1A1
Acetic Acid SCHEMBL10484555 0.82 CYP1A2 (0.47) MEN1KMT2ANPC1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4118373-A Preparation of urethane elastomers from epoxy resin, polyols and polyisocyanates using a catalyst composition of an organometal salt with either nitrogen or phosphorus compounds THE DOW CHEMICAL COMPANY (US) 1978-10-03 — — US disclosed
US-3948855-A Process for reacting a phenol with a vicinal epoxy compound in the presence of phosphorus or carbon containing acid, ester or acid ester THE DOW CHEMICAL COMPANY (US) 1976-04-06 — — US disclosed
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