SCHEMBL11068061

SCHEMBL11068061

O=C(O)[C@H]1O[C@]1(Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HSD11B1 P28845 1/20 0.37
CYP3A4 P08684 1/20 0.37
CES1 P23141 2/20 0.36
CES2 O00748 1/20 0.36
AKR1B1 P15121 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 2/20 0.35
GSK3B P49841 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL11482575 1.00 FDFT1 (0.42) FDFT1CRHBPCRHR2HSD11B1CYP3A4
SCHEMBL28079322 0.78 FDFT1 (0.44) FDFT1CRHBPCRHR2HSD11B1CYP3A4
SCHEMBL19458359 0.75 HSD11B1 (0.36) HSD11B1CYP3A4CES1CES2AKR1B1
SCHEMBL28603393 0.71 ALDH1A1 (0.38) HSD11B1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL549395 0.69 MMP2 (0.42) MEN1KMT2A
SCHEMBL6572038 0.67 CRHBP (0.35) FDFT1CRHBPCRHR2MEN1KMT2A
SCHEMBL8993551 0.63 CRHBP (0.61) FDFT1CRHBPCRHR2HSD11B1MEN1
SCHEMBL923461 0.63 MAOA (0.48) HSD11B1CES1CES2AKR1B1ALDH1A1
SCHEMBL5665989 0.63 MAOA (0.39) HSD11B1CYP3A4CES1CES2AKR1B1
SCHEMBL15321958 0.63 CYP4F2 (0.42) HSD11B1CYP3A4CES1CES2AKR1B1

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-4474800-A PROTEASE INHIBITORS, MUSCULAR DYSTROPHY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-10-02 US disclosed
US-4418075-A INHIBITING CALCIUM ACTIVATED NEUTRALTHIOL PROTEASE, MUSCULAR DYSTROPHY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1983-11-29 US disclosed
US-4382889-A Epoxysuccinic acid derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1983-05-10 US disclosed
US-4333879-A CALCIUM-ACTIVATED NEUTRAL THIOLPROTEASE INHIBITOR USED IN THE TREATMENT OF MUSCULAR DYSTROPHY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1982-06-08 US disclosed