SCHEMBL26513330

SCHEMBL26513330

C=CC(O)(c1ccc(OC)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.47
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MITF O75030 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR2 Q92731 1/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
CTDSP1 Q9GZU7 2/20 0.42
ABL1 P00519 2/20 0.41
ABCB1 P08183 2/20 0.41
BCR P11274 2/20 0.41

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
SCHEMBL28803424 0.92 KIF11 (0.46) KDM4EHTTSMN1; SMN2LMNAKMT2A
SCHEMBL26513304 0.90 S1PR1 (0.47) BACE1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL20378505 0.88 CA12 (0.46) ALDH1A1SMN1; SMN2ESR2CYP3A4LMNA
SCHEMBL28803531 0.84 CYP2C9 (0.48) RAB9ANPC1ALDH1A1KDM4ECYP3A4
SCHEMBL28803610 0.80 NFE2L2 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL24605277 0.79 CYP3A4 (0.50) NPC1ALDH1A1SMN1; SMN2CYP3A4LMNA
Methyl Alcohol SCHEMBL28369464 0.76 ESR2 (0.62) BACE1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL291776 0.76 CA4 (0.68) BACE1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL17283658 0.76 CA4 (0.68) BACE1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL9152375 0.76 CA4 (0.68) BACE1RAB9ANPC1ALDH1A1KDM4E

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-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed