SCHEMBL11264013

SCHEMBL11264013

CC=CCc1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
HSD17B10 Q99714 4/20 0.39
POLB P06746 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
NT5E P21589 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
SNCA P37840 1/20 0.36
CASP6 P55212 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 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
SCHEMBL29215803 0.87 POLB (0.46) ALDH1A1POLBLMNAMAPTGAA
SCHEMBL9243144 0.86 POLB (0.36) ALDH1A1HSD17B10POLBLMNAMAPT
SCHEMBL10844145 0.86 POLB (0.36) ALDH1A1HSD17B10POLBLMNAMAPT
SCHEMBL729517 0.82 POLB (0.57) ALDH1A1HSD17B10POLBLMNAMAPT
SCHEMBL1807695 0.81 ALDH1A1 (0.40) ALDH1A1HSD17B10POLBLMNAMAPT
SCHEMBL27417200 0.80 POLB (0.32) ALDH1A1POLBLMNAHTTTDP1
SCHEMBL1807698 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10POLBLMNAMAPT
SCHEMBL1607817 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10LMNAMAPTGAA
SCHEMBL10596213 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10LMNAMAPTGAA
SCHEMBL1807548 0.78 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003883-B1 AMINO-DIBENZOPYRANS, THEIR PREPARATION, FORMULATIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS ELI LILLY AND COMPANY (US) 1982-10-06 EP disclosed
US-4195025-A 9-Amino-dibenzopyrans ELI LILLY AND COMPANY (US) 1980-03-25 US disclosed
EP-0003883-A1 Amino-dibenzopyrans, their preparation, formulations containing them and their use as pharmaceuticals ELI LILLY AND COMPANY (US) 1979-09-05 EP disclosed
US-4152450-A 9-Amino-dibenzopyrans ELI LILLY AND COMPANY (US) 1979-05-01 US disclosed