SCHEMBL8980296

SCHEMBL8980296

C=C(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.54
EGFR P00533 1/20 0.53
TP53 P04637 1/20 0.52
MMP8 P22894 1/20 0.51
POLB P06746 2/20 0.50
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ELANE P08246 1/20 0.47
HPRT1 P00492 1/20 0.47

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
SCHEMBL22352567 1.00 TACR1 (0.54) TACR1EGFRTP53MMP8POLB
SCHEMBL13524950 0.89 ATM (0.62) POLBGAARAB9AATMALDH1A1
SCHEMBL6218963 0.89 ATM (0.62) POLBGAARAB9AATMALDH1A1
SCHEMBL9405475 0.88 EGFR (0.52) TACR1EGFRTP53MMP8POLB
SCHEMBL15947340 0.88 BACE1 (0.47) TACR1EGFRMMP8
SCHEMBL23306552 0.86 EGFR (0.51) TACR1EGFRTP53MMP8POLB
SCHEMBL23306550 0.86 EGFR (0.51) TACR1EGFRTP53MMP8POLB
SCHEMBL13960043 0.86 TACR1 (0.49) TACR1MMP8POLBATMALDH1A1
SCHEMBL242242 0.85 TACR1 (0.71) TACR1TP53MMP8POLBGAA
SCHEMBL242241 0.85 TACR1 (0.71) TACR1TP53MMP8POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545168-B1 Optically active polymer beads containing a filler BAYER AG (DE) 1996-04-24 EP disclosed
US-5348656-A Adsorbants for optical resolution BAYER AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed
EP-0545168-A1 Optically active polymer beads containing a filler BAYER AG (DE) 1993-06-09 EP disclosed
US-5096971-A Acrylic graft copolymer MITSUBISHI KASEI CORPORATION (JP) 1992-03-17 US disclosed
EP-0366042-A2 Adsorbent for optical resolution and resolution method employing it MITSUBISHI KASEI CORPORATION (JP) 1990-05-02 EP disclosed