SCHEMBL20640640

SCHEMBL20640640

CC1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)[C@](C)(O)CC[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.65
▸ ATP1A1 P05023 2/20 0.52
▸ ATP1B1 P05026 2/20 0.52
▸ ATP1A3 P13637 2/20 0.52
▸ ATP1B2 P14415 2/20 0.52
▸ ATP1A2 P50993 2/20 0.52
▸ ATP1B3 P54709 2/20 0.52
▸ FXYD2 P54710 2/20 0.52
▸ ATP1A4 Q13733 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 3/20 0.50
▸ CYP3A4 P08684 2/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SULT1E1 P49888 1/20 0.47
▸ GALE Q14376 1/20 0.45

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
SCHEMBL24212692 0.79 NR1H4 (1.00) NR1H4ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL24212694 0.75 NR1H4 (1.00) NR1H4ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL8611875 0.75 ALDH1A1 (0.61) NR1H4ALDH1A1MAPTCYP3A4TRPV1
SCHEMBL31139943 0.75 ALDH1A1 (0.61) NR1H4ALDH1A1MAPTCYP3A4TRPV1
SCHEMBL3112008 0.75 ALDH1A1 (0.61) NR1H4ALDH1A1MAPTCYP3A4TRPV1
SCHEMBL3112011 0.75 ALDH1A1 (0.61) NR1H4ALDH1A1MAPTCYP3A4TRPV1
SCHEMBL9880617 0.75 ALDH1A1 (0.61) NR1H4ALDH1A1MAPTCYP3A4TRPV1
SCHEMBL19958385 0.75 ALDH1A1 (0.61) NR1H4ALDH1A1MAPTCYP3A4TRPV1
SCHEMBL1105231 0.75 ALDH1A1 (0.61) NR1H4ALDH1A1MAPTCYP3A4TRPV1
SCHEMBL27017541 0.75 ALDH1A1 (0.61) NR1H4ALDH1A1MAPTCYP3A4TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200229370-A1 HYBRID TOBACCO PLANTS FROM CROSSES BETWEEN FLUE-CURED AND AIR-CURED TOBACCO TYPES SOUZA CRUZ LTDA (BR) 2020-07-23 — — US disclosed
EP-3651567-A1 HYBRID TOBACCO PLANTS FROM CROSSES BETWEEN FLUE-CURED AND AIR-CURED TOBACCO TYPES British American Tobacco (Investments) Limited (GB) 2020-05-20 — — EP disclosed
WO-2019012261-A1 HYBRID TOBACCO PLANTS FROM CROSSES BETWEEN FLUE-CURED AND AIR-CURED TOBACCO TYPES BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2019-01-17 — — WO disclosed
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