SCHEMBL25411836

SCHEMBL25411836

c1ccc2c(c1)ccc1ccc(-c3ccc4ccc5ccccc5c4c3)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
HSD17B10 Q99714 3/20 0.70
HIF1A Q16665 1/20 0.70
CYP1B1 Q16678 1/20 0.70
CYP2A6 P11509 2/20 0.67
TSHR P16473 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
HPRT1 P00492 3/20 0.60
CYP1A2 P05177 3/20 0.50
HPGD P15428 1/20 0.50
PAX8 Q06710 1/20 0.48
CASP3 P42574 1/20 0.45
GFER P55789 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43

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
SCHEMBL31171124 1.00 ALDH1A1 (0.70) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL383544 0.95 HPRT1 (0.70) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL19336383 0.95 HPRT1 (0.70) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL6559203 0.93 ALDH1A1 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL19336403 0.93 HPRT1 (0.67) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL383891 0.91 ALDH1A1 (0.65) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL19336426 0.91 HPRT1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL19336433 0.91 HPRT1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL19336404 0.91 HPRT1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL19336402 0.91 HPRT1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6

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
WO-2023195505-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME 三菱瓦斯化学株式会社 2023-10-12 WO disclosed
WO-2023176687-A1 BIPHENANTHRENE COMPOUND OR ALKALI METAL SALT THEREOF 本州化学工業株式会社 2023-09-21 WO disclosed