SCHEMBL25837414

SCHEMBL25837414

COc1cc2c(OCc3ccccc3)cc(I)c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.44
PTPN2 P17706 2/20 0.44
PTPN6 P29350 2/20 0.44
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PSEN1 P49768 3/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL25876740 0.89 GSK3B (0.46) PTPN1PTPN2PTPN6RXRARXRB
SCHEMBL25837411 0.88 PTPN1 (0.45) PTPN1PTPN2PTPN6CTSVCTSL
SCHEMBL25837233 0.87 CTSV (0.46) CTSVCTSLMGAMGAASI
SCHEMBL22149016 0.87 PTPN1 (0.43) PTPN1PTPN2PTPN6CTSVCTSL
SCHEMBL25837396 0.84 PTPN1 (0.49) PTPN1PTPN2PTPN6CTSVCTSL
SCHEMBL22148986 0.83 PTPN1 (0.48) PTPN1PTPN2PTPN6CTSVCTSL
SCHEMBL22149137 0.81 PTPN1 (0.46) PTPN1PTPN2PTPN6CTSVCTSL
SCHEMBL25837478 0.78 MGAM (0.46) CTSLKDM4EALDH1A1LMNAMGAM
SCHEMBL15763617 0.78 MGAM (0.44) CTSVCTSLALDH1A1LMNAMGAM
SCHEMBL22148988 0.78 PPIA (0.46) PTPN1PTPN2PTPN6RXRARXRB

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
WO-2023136213-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-20 WO disclosed