SCHEMBL7789504

SCHEMBL7789504

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.61
TAAR1 Q96RJ0 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
ACE P12821 1/20 0.42
CAPN1 P07384 3/20 0.40
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC18A2 Q05940 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL7789508 1.00 EPHX1 (0.61) EPHX1TAAR1MEN1KMT2AADH1B
SCHEMBL13684925 0.85 EPHX1 (0.66) EPHX1TAAR1MEN1KMT2AADH1B
SCHEMBL15730834 0.85 EPHX1 (0.66) EPHX1TAAR1MEN1KMT2AADH1B
SCHEMBL15375405 0.80 EPHX1 (0.44) EPHX1TAAR1MEN1KMT2AACE
SCHEMBL19559843 0.77 SIGMAR1 (0.53) EPHX1TAAR1MEN1KMT2ASLC6A4
SCHEMBL7626858 0.76 CTRB1 (0.50) TAAR1ACECAPN1CYP1A2
SCHEMBL3554246 0.76 CTRB1 (0.50) TAAR1ACECAPN1CYP1A2
SCHEMBL29257172 0.76 EPHX1 (1.00) EPHX1TAAR1MEN1KMT2AADH1B
SCHEMBL7789516 0.76 SIGMAR1 (0.53) EPHX1TAAR1MEN1KMT2AADH1B
SCHEMBL2065618 0.75 EPHX1 (0.73) EPHX1TAAR1MEN1KMT2AADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed