SCHEMBL19017672

SCHEMBL19017672

O=C(O)[C@H]1CC=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ EDNRA P25101 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HSPA1A P0DMV8 1/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ EDNRB P24530 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RBP4 P02753 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL29405961 1.00 ALDH1A1 (0.40) ALDH1A1EDNRATDP1ATMHSPA1A
SCHEMBL4943541 1.00 ALDH1A1 (0.40) ALDH1A1EDNRATDP1ATMHSPA1A
SCHEMBL5320052 0.87 HTR2A (0.34) ALDH1A1TDP1ATMHSPA1APTPN7
SCHEMBL1025069 0.86 ATM (0.40) ALDH1A1ATMPOLBTSHR
4-Hydroxybenzaldehyde SCHEMBL28936869 0.85 ALDH5A1 (0.43) ALDH1A1TDP1
SCHEMBL642506 0.84 ATM (0.37) ALDH1A1ATMPOLBHTR2ATSHR
SCHEMBL4772652 0.84 HTR2A (0.32) ALDH1A1ATMPOLBPTGDR2HTR2A
SCHEMBL5697727 0.84 NOTUM (0.37) ALDH1A1ATMPOLBHTR2ATSHR
SCHEMBL31245687 0.84 ATM (0.37) ALDH1A1ATMPOLBHTR2ATSHR
SCHEMBL29053325 0.80 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170242338-A1 ACTIVE-LIGHT-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTIVE-LIGHT-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2017-08-24 — — US disclosed
US-20170176858-A1 PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2017-06-22 — — US disclosed
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