SCHEMBL11308012

SCHEMBL11308012

CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(C(=O)O)c3ccc(Cl)cc3)[C@@H]2SC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.65
▸ MAPT P10636 7/20 0.65
▸ HSD17B10 Q99714 6/20 0.65
▸ MEN1 O00255 5/20 0.65
▸ SLC15A2 Q16348 3/20 0.65
▸ LMNA P02545 2/20 0.65
▸ ESR1 P03372 1/20 0.65
▸ SLC22A6 Q4U2R8 1/20 0.65
▸ SLC22A8 Q8TCC7 1/20 0.65
▸ ALDH1A1 P00352 6/20 0.64
▸ CYP3A4 P08684 4/20 0.64
▸ CYP2C19 P33261 3/20 0.64
▸ HPGD P15428 3/20 0.64
▸ TDP1 Q9NUW8 3/20 0.64
▸ BLM P54132 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ ADRA1A P35348 1/20 0.64
▸ HTR2B P41595 1/20 0.64
▸ CACNA1B Q00975 1/20 0.62
▸ APBA1 Q02410 1/20 0.62

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
SCHEMBL11308009 1.00 KMT2A (0.65) KMT2AMAPTHSD17B10MEN1SLC15A2
SCHEMBL11314143 0.91 HSD17B10 (0.77) KMT2AMAPTHSD17B10MEN1SLC15A2
SCHEMBL11309932 0.90 ALDH1A1 (0.67) KMT2AMAPTHSD17B10MEN1SLC15A2
SCHEMBL11309931 0.90 ALDH1A1 (0.67) KMT2AMAPTHSD17B10MEN1SLC15A2
SCHEMBL11597076 0.88 MAPT (0.83) KMT2AMAPTHSD17B10MEN1SLC15A2
SCHEMBL11597074 0.88 MAPT (0.83) KMT2AMAPTHSD17B10MEN1SLC15A2
SCHEMBL11308679 0.83 ALDH1A1 (0.66) KMT2AMAPTHSD17B10MEN1SLC15A2
SCHEMBL11308682 0.83 ALDH1A1 (0.66) KMT2AMAPTHSD17B10MEN1SLC15A2
SCHEMBL11302496 0.82 ALDH1A1 (0.77) KMT2AMAPTHSD17B10MEN1SLC15A2
SCHEMBL15705831 0.82 KMT2A (0.70) KMT2AMAPTHSD17B10MEN1SLC15A2

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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