SCHEMBL7349441

SCHEMBL7349441

[CH2]OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
SRD5A2 P31213 3/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
TPMT P51580 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL214761 0.82 LMNA (0.64) TSHRTP53CA1CA2CA12
SCHEMBL8315092 0.80 CA1 (0.60) TSHRCA1CA2CA12CA3
SCHEMBL27989156 0.80 LMNA (0.61) TSHRTP53CA1CA2CA12
SCHEMBL6891788 0.79 PDCD1 (0.58) SMN1; SMN2MAPT
SCHEMBL1269049 0.79 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL110030 0.79 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL15129970 0.79 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL11512239 0.79 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL6966147 0.78 CES2 (0.54) TSHRTP53SRD5A2CA1CA2
SCHEMBL513954 0.78 TDP1 (0.64) SRD5A2ALDH1A1SMN1; SMN2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505413-B1 BETA-LACTAM DERIVATIVES ERBA CARLO SPA (IT) 1994-08-31 EP claimed
EP-0378604-B1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES ERBA CARLO SPA (IT) 1994-03-02 EP claimed
EP-0505413-A1 BETA-LACTAM DERIVATIVES. ERBA FARMITALIA (IT) 1992-09-30 EP claimed
WO-1991009036-A1 BETA-LACTAM DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1991-06-27 WO claimed
EP-0378604-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES. ERBA CARLO SPA (IT) 1990-07-25 EP claimed
WO-1989010926-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1989-11-16 WO claimed
EP-0639195-B1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 1999-05-26 EP disclosed
US-5587373-A ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-12-24 US disclosed
US-5356888-A Elastase inhibitors FARMITALIA CARLO ERBA (IT) 1994-10-18 US disclosed
US-5348952-A Antibiotics for antiinflammatory agents, degenerative diseases caused by proteolytic enzymes and respiratory system disorders FARMITALIA CARLO ERBA S.R.L. (IT) 1994-09-20 US disclosed
EP-0505413-B1 BETA-LACTAM DERIVATIVES ERBA CARLO SPA (IT) 1994-08-31 EP disclosed
EP-0378604-B1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES ERBA CARLO SPA (IT) 1994-03-02 EP disclosed
EP-0505413-A1 BETA-LACTAM DERIVATIVES. ERBA FARMITALIA (IT) 1992-09-30 EP disclosed
WO-1991009036-A1 BETA-LACTAM DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1991-06-27 WO disclosed
EP-0378604-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES. ERBA CARLO SPA (IT) 1990-07-25 EP disclosed
WO-1989010926-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1989-11-16 WO disclosed