SCHEMBL11224816

SCHEMBL11224816

CC(=O)C(C)=NO.O=C(O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ GFER P55789 2/20 0.51
▸ TSHR P16473 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KDM1A O60341 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ EPHX1 P07099 2/20 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
Ethyl Phenylcarbamate SCHEMBL11677989 0.82 RAB9A (0.58) HSD17B10TSHRNPSR1CYP2D6CYP2C9
Acetic Acid SCHEMBL6421164 0.82 NAPRT (0.70) NAPRTHSD17B10TSHRMAPTNPC1
SCHEMBL11448046 0.81 GFER (0.63) NAPRTHSD17B10GFERTSHRNPSR1
SCHEMBL7634 0.79 EPHX2 (0.70) NAPRTHSD17B10GFERTSHRMAPT
Benzene SCHEMBL28162617 0.79 EPHX2 (0.70) NAPRTHSD17B10GFERTSHRMAPT
Dimethylamine SCHEMBL8779747 0.78 NAPRT (0.62) NAPRTHSD17B10TSHRMAPTNPC1
Water SCHEMBL9215020 0.77 EPHX2 (0.67) NAPRTHSD17B10GFERTSHRMAPT
Fluoride SCHEMBL10885265 0.77 EPHX2 (0.67) NAPRTHSD17B10GFERTSHRMAPT
Hydrochloric Acid SCHEMBL9156069 0.77 EPHX2 (0.67) NAPRTHSD17B10GFERTSHRMAPT
Water SCHEMBL9215017 0.77 EPHX2 (0.67) NAPRTHSD17B10GFERTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4343885-A PHOTORESISTS DYNACHEM CORPORATION (US) 1982-08-10 — — US disclosed
EP-0005380-B1 PHOTOTROPIC PHOTOSENSITIVE COMPOSITIONS CONTAINING A FLUORAN COLORFORMER Dynachem Corporation (US) 1982-01-06 — — EP disclosed
EP-0005380-A2 Phototropic photosensitive compositions containing a fluoran colorformer Dynachem Corporation (US) 1979-11-14 — — EP disclosed
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