SCHEMBL9867128

SCHEMBL9867128

CC(=O)Oc1cc(CC(=O)OC(c2ccccc2)c2ccccc2)ccc1OC(=O)C(C)ON

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 2/20 0.38
CFD P00746 1/20 0.38
CCR5 P51681 1/20 0.37
PTGS1 P23219 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HPGD P15428 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL9867553 0.87 CHRM2 (0.41) ALDH1A1LMNAALOX15CHRM2CHRM1
SCHEMBL9865994 0.75 CRHBP (0.39) ALDH1A1TSHRCFDCRHBPCRHR2
SCHEMBL9866994 0.73 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2CYP3A4TSHR
SCHEMBL9868777 0.73 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2CYP3A4TSHR
SCHEMBL9866940 0.73 CRHBP (0.41) ALDH1A1TSHRCFDPTGS1CRHBP
SCHEMBL2417527 0.71 PTGS1 (0.48) ALDH1A1ALOX15TSHRCFDCCR5
SCHEMBL10442204 0.70 CRHBP (0.38) ALDH1A1LMNACYP3A4TSHRCFD
SCHEMBL6221039 0.70 ALOX15 (0.51) ALDH1A1ALOX15TSHRCFDCCR5
SCHEMBL9867123 0.68 ALDH1A1 (0.39) ALDH1A1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL10693575 0.68 ALDH1A1 (0.42) ALDH1A1LMNATSHRCFDCCR5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001121-A Cephalosporin compounds and pharmaceutical compositions thereof MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-03-19 US disclosed
EP-0197409-B1 CEPHALOSPORIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed
US-4956474-A PHTHALIMIDOOXY OR AMINOXY COMPOUNDS FOR MAKING CEPHALOSPORINS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
EP-0360298-A2 Intermediate compounds for use in the synthesis of cephalosporin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-03-28 EP disclosed
EP-0359291-A1 Cephalosporin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-03-21 EP disclosed
US-4904791-A Cephalosporin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 US disclosed
US-4840945-A ANTIBIOTICS EFFECTIVE AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-06-20 US disclosed
EP-0197409-A1 Cephalosporin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1986-10-15 EP disclosed
WO-1986005786-A1 CEPHALOSPORIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed