SCHEMBL30438488

SCHEMBL30438488

CC(c1ccccc1)(c1cccc(O)c1N)c1cccc(O)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
G6PD P11413 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
CYP3A4 P08684 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CA2 P00918 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP1A2 P05177 1/20 0.35
KIF11 P52732 1/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL564062 0.85 ESR1 (0.47) ESR1ESR2ALDH1A1TSHRTDP1
SCHEMBL29688168 0.82 ALDH1A1 (0.60) ESR1ESR2ALDH1A1TSHRTDP1
SCHEMBL24549485 0.82 ESR1 (0.45) ESR1ESR2ALDH1A1CYP3A4CA2
SCHEMBL1410514 0.82 ALDH1A1 (0.60) ESR1ESR2ALDH1A1TSHRTDP1
SCHEMBL21340183 0.81 ESR1 (0.50) ESR1ESR2ALDH1A1TSHRTDP1
SCHEMBL144361 0.78 ALDH1A1 (0.60) ALDH1A1TSHRTDP1G6PDCASP7
SCHEMBL564620 0.78 ALDH1A1 (0.48) ESR1ESR2ALDH1A1TSHRTDP1
SCHEMBL983097 0.78 ALDH1A1 (0.60) ESR1ESR2ALDH1A1TSHRTDP1
SCHEMBL5150472 0.74 ESR1 (0.56) ESR1ESR2ALDH1A1TSHRTDP1
SCHEMBL10686605 0.74 ESR1 (0.45) ESR1ESR2ALDH1A1TDP1CASP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113820920-B Photosensitive resin composition, method for producing cured relief pattern, and semiconductor device 旭化成株式会社 2023-07-04 CN disclosed