SCHEMBL24451605

SCHEMBL24451605

BC(C)(CCC)c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP2A6 P11509 2/20 0.36
▸ SSTR4 P31391 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTR1B P28222 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ACP3 P15309 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ HTR1D P28221 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
SCHEMBL18823301 0.85 CYP1A2 (0.40) ALDH1A1CYP2A6LMNAHPGDCYP1A2
SCHEMBL2126064 0.83 CYP2A6 (0.40) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL6547493 0.81 ALDH1A1 (0.39) ALDH1A1CYP2A6SSTR4KDM4ELMNA
SCHEMBL7192329 0.79 ALDH1A1 (0.38) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL6546355 0.79 ALDH1A1 (0.36) ALDH1A1CYP2A6SSTR4KDM4ELMNA
SCHEMBL6680536 0.78 ALDH1A1 (0.39) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL2128287 0.76 HTR1B (0.40) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL6683489 0.76 CYP2A6 (0.38) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL16933923 0.76 ABCC9 (0.38) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL6546530 0.76 ALDH1A1 (0.38) ALDH1A1CYP2A6KDM4ELMNAHPGD

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-20220161542-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR PREPARING LITHOGRAPHIC PRINTING PLATE, AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2022-05-26 — — US disclosed
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