SCHEMBL24944875

SCHEMBL24944875

O=C(OC1(c2ccccc2)CCNCC1)c1ccc(C(=O)c2ccc(-c3ccc(C4(OC(=O)c5ccc(-c6ccccc6)cc5)CCNCC4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 2/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
CDC25B P30305 1/20 0.37

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
SCHEMBL24943754 0.95 SMN1; SMN2 (0.43) AKT2SMN1; SMN2USP2ALDH1A1TSHR
SCHEMBL26413775 0.92 ALDH1A1 (0.46) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL24944039 0.88 CDC25B (0.48) AKT2SMN1; SMN2USP2ALDH1A1TSHR
SCHEMBL24943664 0.86 OPRM1 (0.46) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL24943766 0.84 MAPT (0.43) SMN1; SMN2LMNAMAPTRAB9AOPRM1
SCHEMBL24944313 0.84 ESR1 (0.42) ALDH1A1TSHRLMNAMAPTKMT2A
SCHEMBL24943715 0.83 KMO (0.43) USP2ALDH1A1TSHRHSD17B10MAPT
SCHEMBL24943674 0.83 NPC1 (0.43) ALDH1A1TSHRLMNAMAPTRAB9A
SCHEMBL24944860 0.83 OPRM1 (0.47) SMN1; SMN2MEN1MAPTRAB9AKMT2A
SCHEMBL24944620 0.83 DRD2 (0.43) TSHRMAPTKMT2AOPRM1HDAC1

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-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230021453-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-01-26 US disclosed