SCHEMBL30945595

SCHEMBL30945595

c1cc2cc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)C2

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.32
CYP3A4 P08684 3/20 0.32
CA12 O43570 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ACHE P22303 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL30547267 1.00 CHKA (0.32) CHKACYP3A4CA12ALDH1A1CA2
SCHEMBL29894137 1.00 CHKA (0.32) CHKACYP3A4CA12ALDH1A1CA2
Hydrogen Sulfide SCHEMBL23044042 0.96 CHKA (0.31) CHKACYP3A4CA12ALDH1A1CA2
Water SCHEMBL5062444 0.92
Ammonia Solution, Strong SCHEMBL3063865 0.92
Hydrochloric Acid SCHEMBL28806862 0.89 CYP3A4 (0.30) CYP3A4CA12ALDH1A1CA2LMNA
Hydrochloric Acid SCHEMBL3074137 0.89
Ethylene SCHEMBL27483838 0.89
Hydrochloric Acid SCHEMBL28767954 0.89 CYP3A4 (0.30) CYP3A4CA12ALDH1A1CA2LMNA
SCHEMBL9520788 0.86

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
CN-118141726-B Alopecia preventing composition and preparation method and application thereof 广州无与伦比企业集团有限公司 2024-08-06 CN disclosed
CN-118141726-A Alopecia preventing composition and preparation method and application thereof 广州无与伦比企业集团有限公司 2024-06-07 CN disclosed