SCHEMBL9765180

SCHEMBL9765180

CCCCOC(=O)CSC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
CNR1 P21554 1/20 0.34
XPA P23025 1/20 0.34
BCL2A1 Q16548 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9765210 0.90 KMT2A (0.38) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL9765223 0.86 MEN1 (0.40) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL9765169 0.83 SLC6A2 (0.37) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL9765150 0.83 PPOX (0.41)
SCHEMBL10974659 0.81 THRB (0.39) ALDH1A1L3MBTL1TDP1XPAKMT2A
SCHEMBL9765231 0.80 PPOX (0.40)
SCHEMBL9765187 0.80 SLC6A3 (0.41) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL10599013 0.73 PPOX (0.34) ALDH1A1TDP1ALOX15
SCHEMBL11060869 0.73 MEN1 (0.44) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL9765221 0.73 ALDH1A1 (0.39) ALDH1A1L3MBTL1TDP1KMT2AMEN1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233151-B1 ESTERS AS HERBICIDES CIBA-GEIGY AG (CH) 1991-11-13 EP claimed
US-5034048-A Plant growth regulators, 5(tetrahydrophthalamido)benzoic acid derivatives for controlling weeds CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed
US-4917721-A TETRAHYDROPHTHALIMIDO BENZOIC ACID THIOESTERS CIBA-GEIGY CORPORATION (US) 1990-04-17 US disclosed