SCHEMBL9682735

SCHEMBL9682735

Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)/C(=N\O)c4csc(N)n4)[C@H]3SC2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.64
▸ PGR P06401 2/20 0.64
▸ MAPT P10636 5/20 0.63
▸ TDP1 Q9NUW8 4/20 0.63
▸ ABCC4 O15439 2/20 0.63
▸ CTDSP1 Q9GZU7 2/20 0.63
▸ CNR1 P21554 1/20 0.63
▸ POLB P06746 3/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ HTR2C P28335 1/20 0.62
▸ SLC22A6 Q4U2R8 3/20 0.61
▸ SLC22A8 Q8TCC7 3/20 0.61
▸ SLC22A11 Q9NSA0 3/20 0.61
▸ PPARG P37231 2/20 0.61
▸ DAO P14920 1/20 0.61
▸ SNCA P37840 1/20 0.61
▸ CYP2J2 P51589 1/20 0.61
▸ ALB P02768 1/20 0.59
▸ LMNA P02545 1/20 0.58

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
SCHEMBL9682740 1.00 NR1I2 (0.64) NR1I2PGRMAPTTDP1ABCC4
SCHEMBL5972677 1.00 NR1I2 (0.64) NR1I2PGRMAPTTDP1ABCC4
SCHEMBL9682724 0.93 TDP1 (0.62) NR1I2PGRMAPTTDP1ABCC4
SCHEMBL9682729 0.93 TDP1 (0.62) NR1I2PGRMAPTTDP1ABCC4
SCHEMBL10627715 0.92 NR1I2 (0.76) NR1I2PGRMAPTTDP1ABCC4
SCHEMBL9659553 0.92 NR1I2 (0.76) NR1I2PGRMAPTTDP1ABCC4
SCHEMBL11157941 0.92 NR1I2 (0.76) NR1I2PGRMAPTTDP1ABCC4
SCHEMBL9659559 0.92 NR1I2 (0.76) NR1I2PGRMAPTTDP1ABCC4
SCHEMBL11004390 0.91 POLB (0.65) NR1I2PGRMAPTTDP1CTDSP1
Hydrochloric Acid SCHEMBL11009162 0.90 POLB (0.65) NR1I2PGRMAPTTDP1CTDSP1

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-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 — — US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 — — US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 — — US disclosed
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