SCHEMBL10403953

SCHEMBL10403953

O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)[C@H](CO)NS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 10/20 0.53
▸ ACE P12821 4/20 0.47
▸ CYP3A4 P08684 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ F10 P00742 2/20 0.44
▸ CTRB1 P17538 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ F2 P00734 2/20 0.43
▸ PLG P00747 2/20 0.43
▸ ST14 Q9Y5Y6 2/20 0.43
▸ PLAU P00749 1/20 0.43

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
SCHEMBL10404568 0.92 ACE (0.53) FKBP1AACEF10CTRB1F2
SCHEMBL10404429 0.90 FKBP1A (0.50) FKBP1AACEF10F2PLG
SCHEMBL15251676 0.90 FKBP1A (0.52) FKBP1AACE
SCHEMBL15251677 0.90 FKBP1A (0.52) FKBP1AACE
SCHEMBL10404430 0.88 F10 (0.49) FKBP1AACEF10F2PLG
SCHEMBL10403978 0.87 FKBP1A (0.48) FKBP1AACECTRB1
SCHEMBL10404990 0.87 FKBP1A (0.50) FKBP1AACEF10ALDH1A1
SCHEMBL15251894 0.87 FKBP1A (0.56) FKBP1AACEF10F2PLG
SCHEMBL10403271 0.85 FKBP1A (0.54) FKBP1AACECYP3A4TSHRALDH1A1
SCHEMBL10402436 0.85 POLB (0.49) ACETSHRF10F2PLG

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-4971993-A HYPOTENSIVE DIPEPTIDES DERIVATIVES AJINOMOTO CO., INC. (JP) 1990-11-20 — — US disclosed
EP-0190852-A2 Dipeptide derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1986-08-13 — — EP disclosed
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