SCHEMBL27100747

SCHEMBL27100747

CC1(C)c2cc(C(=O)c3ccccc3)ccc2NC12C=Cc1ccccc1O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
HPGD P15428 3/20 0.33
RAB9A P51151 2/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
GLA P06280 1/20 0.33
NPC1 O15118 1/20 0.33
PDK2 Q15119 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
SCHEMBL27100757 0.94 MEN1 (0.37) ALDH1A1AKR1C3AKR1C2AKR1C1SMN1; SMN2
SCHEMBL27100799 0.93 TLK2 (0.33) PTGS1NPC1LMNAHIF1AKDR
SCHEMBL27100811 0.91 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2HPGDRAB9ATDP1
SCHEMBL27100792 0.89 ALDH1A1 (0.35) ALDH1A1AKR1C3AKR1C2AKR1C1SMN1; SMN2
SCHEMBL27100753 0.89 ALDH1A1 (0.33) ALDH1A1AKR1C3AKR1C2AKR1C1RAB9A
SCHEMBL27100809 0.88 HPGD (0.36) ALDH1A1AKR1C3AKR1C2AKR1C1SMN1; SMN2
SCHEMBL27100787 0.87 HTR2C (0.39) ALDH1A1SMN1; SMN2HPGDRAB9ATDP1
SCHEMBL27100790 0.87 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2HPGDRAB9ATDP1
SCHEMBL27100783 0.87 RAB9A (0.36) ALDH1A1AKR1C3AKR1C2AKR1C1SMN1; SMN2
SCHEMBL27100763 0.87 MEN1 (0.37) ALDH1A1AKR1C3AKR1C2AKR1C1SMN1; SMN2

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
US-20240066790-A1 Process and apparatus for locally polymerizing a starting material by dual color photopolymerization and method for volumetric printing of a shaped body XOLO GMBH (DE) 2024-02-29 US disclosed