SCHEMBL12425992

SCHEMBL12425992

CC=C(C)c1c(OCC)ccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CXCR5 P32302 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ AVPR1A P37288 2/20 0.46
▸ AVPR1B P47901 1/20 0.46
▸ HCRTR1 O43613 4/20 0.43
▸ HCRTR2 O43614 4/20 0.43
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL13324375 0.83 TLR8 (0.43) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL4539589 0.83 ALDH1A1 (0.60) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL503962 0.79 ALDH1A1 (0.61) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL30393029 0.79 ALDH1A1 (0.61) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL10350165 0.79 ALDH1A1 (0.56) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL6460843 0.78 ALDH1A1 (0.59) ALDH1A1LMNATSHRRAB9AHSD17B10
Hydrochloric Acid SCHEMBL1037379 0.78 ALDH1A1 (0.60) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL13447246 0.78 ALDH1A1 (0.59) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL11671935 0.78 ALDH1A1 (0.59) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL627877 0.78 ALDH1A1 (0.59) ALDH1A1LMNATSHRRAB9AHSD17B10

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-7977441-B2 Acetylene-based polymer NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-07-12 — — US disclosed
US-20090253872-A1 Acetylene-Based Polymer NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-10-08 — — US disclosed
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