SCHEMBL19979366

SCHEMBL19979366

CCCC1CCC(c2ccc(C(OO)c3ccc(C)cc3)cc2)CC1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.38
▸ CYP2C9 P11712 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31

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
SCHEMBL17231858 0.76 ESR2 (0.50) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL20067198 0.76 RAB9A (0.46) RAB9ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL14542473 0.72 CYP2C9 (0.48) RAB9ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL12858046 0.72 RAB9A (0.48) RAB9ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL10551918 0.70 HRH3 (0.40) RAB9ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL25548604 0.68 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17231854 0.67 CHRNA7 (0.42) ALDH1A1LMNAMEN1KMT2A
SCHEMBL10454546 0.67 CHRNA7 (0.42) ALDH1A1LMNAMEN1KMT2A
SCHEMBL10552138 0.67 RAB9A (0.51) RAB9ACYP2C9ALDH1A1MAPTMEN1
SCHEMBL17736124 0.67 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1

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-20180079960-A1 LIGAND-MODIFIED QUANTUM DOT MATERIALS, METHODS OF FABRICATING LIQUID CRYSTAL DISPLAY PANELS AND LIQUID CRYSTAL DISPLAY PANELS SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-03-22 — — US disclosed
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