SCHEMBL8053754

SCHEMBL8053754

CC(C)(C)Oc1ccccc1CC[O]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
RIPK1 Q13546 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
AOC3 Q16853 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KCNH2 Q12809 1/20 0.35
DRD2 P14416 4/20 0.35
SLC6A3 Q01959 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL8053486 0.84 RIPK1 (0.39) TAAR1CA12CA1CA2CA9
SCHEMBL14670858 0.82 HTR1A (0.42) TAAR1RIPK1SIGMAR1AOC3KCNH2
SCHEMBL9118337 0.82 TAAR1 (0.41) TAAR1RIPK1MTNR1AMTNR1BNPSR1
SCHEMBL12056288 0.82 L3MBTL1 (0.50) RIPK1NPSR1SLC6A3L3MBTL1MAPT
SCHEMBL1804055 0.81 TAAR1 (0.63) TAAR1HRH1
SCHEMBL17660562 0.81 RIPK1 (0.41) TAAR1RIPK1MTNR1AMTNR1BNPSR1
SCHEMBL20739969 0.81 TAAR1 (0.40) TAAR1RIPK1MTNR1AMTNR1BNPSR1
SCHEMBL1046197 0.81 SLC6A3 (0.47) KCNH2DRD2SLC6A3
SCHEMBL8053756 0.81 TAAR1 (0.40) TAAR1RIPK1MTNR1AMTNR1BNPSR1
SCHEMBL7182280 0.80 TAAR1 (0.37) TAAR1CA12CA1CA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed