SCHEMBL11416631

SCHEMBL11416631

COC(=O)CC(C)C(=O)N[C@@H](CCC(N)=O)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.46
▸ ECE1 P42892 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ REN P00797 2/20 0.44
▸ CTSK P43235 3/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ CASP4 P49662 1/20 0.43
▸ CASP5 P51878 1/20 0.43
▸ CASP9 P55211 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CASP8 Q14790 1/20 0.43
▸ CASP10 Q92851 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL11419443 0.85 ALDH1A1 (0.63) MMEALDH1A1THRBCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11288976 0.84 MME (0.49) MMEECE1SMN1; SMN2CTSKCASP1
SCHEMBL11412332 0.84 CTSK (0.55) MMP1RENCTSK
SCHEMBL17344010 0.81 ALDH1A1 (0.54) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL11424459 0.81 ALDH1A1 (0.58) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL24978636 0.81 TACR1 (0.56) MMEECE1ALDH1A1SMN1; SMN2CTSK
SCHEMBL11409558 0.81 ABCB1 (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7046063 0.81 TACR1 (0.56) MMEECE1ALDH1A1SMN1; SMN2CTSK
SCHEMBL4919347 0.80 MME (0.56) MMEECE1SMN1; SMN2CTSKCASP1
SCHEMBL29682481 0.80 MME (0.56) MMEECE1SMN1; SMN2CTSKCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4228184-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-10-14 — — US disclosed
US-4207336-A AGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-06-10 — — US disclosed
US-4207337-A ESPECIALLY ANGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-06-10 — — US disclosed
US-4207342-A Relieving hypertension with carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1980-06-10 — — US disclosed
US-4200649-A Relieving hypertension with carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1980-04-29 — — US disclosed
US-4192882-A SUBSTITUTED INDOLES FOR RELIEVING ANGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-03-11 — — US disclosed
US-4192881-A RELIEVING ANGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-03-11 — — US disclosed
US-4153725-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-05-08 — — US disclosed
US-4146641-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 — — US disclosed
US-4146639-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 — — US disclosed
US-4105789-A Carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1978-08-08 — — US disclosed
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