SCHEMBL7732353

SCHEMBL7732353

CC(C)(C)C1=C(Br)C(C)(C)Oc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ATM Q13315 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
SCHEMBL29191735 0.77 ALDH1A1 (0.39)
SCHEMBL9752735 0.75 OPRD1 (0.33)
SCHEMBL13009960 0.71 IDO1 (0.34) ATM
SCHEMBL7735466 0.68 TDP1 (0.40)
SCHEMBL68917 0.66 ALDH1A1 (0.50) ATM
SCHEMBL29833582 0.66 PDK2 (0.34) ATM
SCHEMBL346891 0.66 PDK2 (0.34) ATM
SCHEMBL8334841 0.64 ALDH1A1 (0.41)
SCHEMBL17414489 0.64 ATM (0.34) ATM
SCHEMBL8724618 0.63 ALDH1A1 (0.34)

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-6403638-B1 COMPOUND FOR USE IN TREATING SKIN DISEASES AND DISORDERS, AND FOR TREATING HYPERVITAMINOSIS A SYNDROME ALLERGAN SALES, INC. 2002-06-11 US disclosed
WO-2001070662-A2 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN , INC. (US) 2001-09-27 WO disclosed