SCHEMBL26414377

SCHEMBL26414377

O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)OC1C2CC3C1OC(=O)C3C2C(=O)OC1(c2ccccc2)CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL24943783 0.91 KDM4E (0.31) —
SCHEMBL24944338 0.86 — —
SCHEMBL24944336 0.85 L3MBTL1 (0.33) ALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL26414374 0.84 ALDH1A1 (0.35) ALDH1A1RECQLSMN1; SMN2GAAPOLB
SCHEMBL24944627 0.82 OPRM1 (0.32) OPRM1
SCHEMBL24944358 0.82 OPRK1 (0.33) SMN1; SMN2GAANPC1RAB9A
SCHEMBL26413943 0.81 OPRM1 (0.32) OPRM1
SCHEMBL26426962 0.81 — —
SCHEMBL24944360 0.80 — —
SCHEMBL26413944 0.80 OPRM1 (0.30) OPRM1

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-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 — — US disclosed
Send feedback