SCHEMBL9416738

SCHEMBL9416738

Cc1cc(Br)ccc1NC(=O)C1(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ TEK Q02763 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ DHODH Q02127 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HCRTR1 O43613 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
SCHEMBL9416700 0.94 TEK (0.53) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9416868 0.86 MAPT (0.52) MAPTMEN1KMT2ACYP1A2CYP3A4
Potassium Ion SCHEMBL10627093 0.86 MAPT (0.55) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10627131 0.86 MAPT (0.55) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10626101 0.82 MAPT (0.49) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1259692 0.82 LMNA (0.47) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL10627119 0.80 RAB9A (0.50) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL10631449 0.79 NPC1 (0.46) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3440627 0.79 ALDH1A1 (0.59) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9416860 0.78 MAPT (0.47) MAPTMEN1KMT2ACYP1A2CYP3A4

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-4736056-A Process for the production of malonic acid derivative compounds UNION CARBIDE AGRICULTURAL PRODUCTS COMPANY, INC., T.W. ALEXANDER DR., RESEARCH TRIANGLE PARK, NC. A CORP. OF PA. 1988-04-05 — — US claimed
US-5292937-A Use of malonic acid derivative compounds for retarding plant growth RHONE-POULENC INC. (US) 1994-03-08 — — US disclosed
US-5123951-A Ethylene response inducing agent and malonic acid derivative RHONE-POULENC NEDERLAND B.V. (NL) 1992-06-23 — — US disclosed
US-4736056-A Process for the production of malonic acid derivative compounds UNION CARBIDE AGRICULTURAL PRODUCTS COMPANY, INC., T.W. ALEXANDER DR., RESEARCH TRIANGLE PARK, NC. A CORP. OF PA. 1988-04-05 — — US disclosed
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