SCHEMBL11307283

SCHEMBL11307283

CC1=C(C(=O)OCC(Cl)(Cl)Cl)N2C(=O)C(NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)[C@@H]2SC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ HSD17B10 Q99714 6/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MAPT P10636 5/20 0.54
▸ SLC15A2 Q16348 3/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ BLM P54132 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ PLCG1 P19174 1/20 0.48
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ PTGS1 P23219 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ LMNA P02545 2/20 0.46

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
SCHEMBL11313897 0.91 ALDH1A1 (0.65) ALDH1A1L3MBTL1HSD17B10KMT2AMAPT
SCHEMBL11307604 0.90 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10KMT2AMAPT
SCHEMBL11310811 0.90 ALDH1A1 (0.72) ALDH1A1L3MBTL1HSD17B10KMT2AMAPT
SCHEMBL11308185 0.87 HSD17B10 (0.69) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL11739783 0.87 ALDH1A1 (0.72) ALDH1A1L3MBTL1HSD17B10KMT2AMAPT
SCHEMBL11542683 0.87 ALDH1A1 (0.72) ALDH1A1L3MBTL1HSD17B10KMT2AMAPT
SCHEMBL10410527 0.85 ALDH1A1 (0.69) ALDH1A1L3MBTL1HSD17B10KMT2AMAPT
SCHEMBL11583073 0.85 ALDH1A1 (0.69) ALDH1A1L3MBTL1HSD17B10KMT2AMAPT
SCHEMBL11859268 0.85 ALDH1A1 (0.69) ALDH1A1L3MBTL1HSD17B10KMT2AMAPT
SCHEMBL11583071 0.85 ALDH1A1 (0.69) ALDH1A1L3MBTL1HSD17B10KMT2AMAPT

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
US-4304717-A Process for the preparation of reactive penicillanic acid and cephalosporanic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1981-12-08 — — US claimed
US-4304717-A Process for the preparation of reactive penicillanic acid and cephalosporanic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1981-12-08 — — US disclosed
US-4171303-A Process for the preparation of reactive penicillanic acid and cephalosporanic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-10-16 — — US disclosed
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