SCHEMBL31472998

SCHEMBL31472998

O=C1OC2C(=O)CCCCCCCCCCCCCCCCC12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.45
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ MT-CO2 P00403 3/20 0.38
▸ ALOX5 P09917 3/20 0.38
▸ MCL1 Q07820 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ SRC P12931 1/20 0.31
▸ SLC18A3 Q16572 1/20 0.31

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
SCHEMBL7706356 0.76 KMT2A (0.56) KMT2ACA1CA2CA4MT-CO2
SCHEMBL6764761 0.76 KMT2A (0.56) KMT2ACA1CA2CA4MT-CO2
SCHEMBL6769544 0.76 KMT2A (0.56) KMT2ACA1CA2CA4MT-CO2
SCHEMBL10933310 0.75 CA1 (0.43) KMT2ACA1CA2CA4MT-CO2
SCHEMBL535670 0.73 CA1 (0.55) KMT2ACA1CA2CA4MT-CO2
SCHEMBL5821158 0.71 KMT2A (0.46) KMT2ACA1CA2CA4MT-CO2
SCHEMBL6232445 0.71 KMT2A (0.46) KMT2ACA1CA2CA4MT-CO2
SCHEMBL10366825 0.71 KMT2A (0.42) KMT2ACA1CA2CA4MT-CO2
SCHEMBL2982970 0.71 CA1 (0.52) KMT2ACA1CA2CA4MT-CO2
SCHEMBL11803699 0.70 PRSS1 (0.36) KMT2AKDM4E

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-113226468-B Substituted alkylphenols as HCN1 antagonists 康奈尔大学 2025-03-25 — — CN disclosed
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