SCHEMBL11314143

SCHEMBL11314143

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 7/20 0.77
▸ ALDH1A1 P00352 7/20 0.77
▸ KMT2A Q03164 7/20 0.77
▸ MAPT P10636 7/20 0.77
▸ CYP3A4 P08684 4/20 0.77
▸ SLC15A2 Q16348 3/20 0.77
▸ HPGD P15428 3/20 0.77
▸ TDP1 Q9NUW8 3/20 0.77
▸ CYP2C19 P33261 3/20 0.77
▸ MAPK1 P28482 2/20 0.77
▸ BLM P54132 2/20 0.77
▸ ADRA1A P35348 1/20 0.77
▸ HTR2B P41595 1/20 0.77
▸ MEN1 O00255 5/20 0.66
▸ LMNA P02545 2/20 0.66
▸ ESR1 P03372 1/20 0.66
▸ SLC22A6 Q4U2R8 1/20 0.66
▸ SLC22A8 Q8TCC7 1/20 0.66
▸ CACNA1B Q00975 1/20 0.65
▸ APBA1 Q02410 1/20 0.65

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
SCHEMBL11308012 0.91 KMT2A (0.65) HSD17B10ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL11308009 0.91 KMT2A (0.65) HSD17B10ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL11077469 0.89 HSD17B10 (0.71) HSD17B10ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL11077472 0.89 HSD17B10 (0.71) HSD17B10ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL14434962 0.88 HSD17B10 (0.79) HSD17B10ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL11159809 0.88 HSD17B10 (0.79) HSD17B10ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL11159811 0.88 HSD17B10 (0.79) HSD17B10ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL11858260 0.88 ALDH1A1 (0.60) HSD17B10ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL21594386 0.88 HSD17B10 (0.79) HSD17B10ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL11858254 0.88 ALDH1A1 (0.60) HSD17B10ALDH1A1KMT2AMAPTCYP3A4

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-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
US-3988326-A Process for N-acylation of 7 amino cephem compounds MEIJI SEIKA KAISHA, LTD. (JA) 1976-10-26 — — US disclosed
US-3975381-A Process for preparing γ-lactone derivatives SAGAMI CHEMICAL RESEARCH CENTER (JA) 1976-08-17 — — US disclosed
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