SCHEMBL29634291

SCHEMBL29634291

c1ccc2c(c1)cc1c3occcc3c3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 5/20 0.39
HIF1A Q16665 2/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
CYP1B1 Q16678 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.36
TSHR P16473 2/20 0.36
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 5/20 0.36
POLB P06746 3/20 0.36
ESR1 P03372 2/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL160528 1.00 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL29663893 0.94 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL164352 0.94 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL722895 0.93 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL23803978 0.77 AHR (0.41) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1
SCHEMBL6206954 0.76 TNKS (0.37) ALDH1A1HSD17B10HIF1AHPGDCYP1B1
SCHEMBL1309270 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL30476322 0.76 CYP1A2 (0.46) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL6201679 0.75 CYP1A2 (0.46) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL14358959 0.71 MAOA (0.46) ALDH1A1HSD17B10HIF1ACYP1A2HPGD

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
US-11874434-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2024-01-16 US disclosed
US-20220137262-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE (US) 2022-05-05 US disclosed