SCHEMBL5839145

SCHEMBL5839145

Cc1ccccc1COc1ccccc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.68
▸ APEX1 P27695 1/20 0.59
▸ HTT P42858 3/20 0.59
▸ TP53 P04637 1/20 0.59
▸ SGMS2 Q8NHU3 1/20 0.56
▸ KMT2A Q03164 1/20 0.54
▸ PTK2B Q14289 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ CDK4 P11802 1/20 0.52
▸ CCND1 P24385 1/20 0.52
▸ FOLH1 Q04609 2/20 0.52
▸ RXRA P19793 1/20 0.51
▸ RXRB P28702 1/20 0.51
▸ RXRG P48443 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ SLC1A5 Q15758 1/20 0.51
▸ TRPM8 Q7Z2W7 2/20 0.50
▸ PTGDR2 Q9Y5Y4 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL28638554 0.89 ALDH1A1 (0.62) ALDH1A1APEX1HTTTP53SGMS2
SCHEMBL5291219 0.87 HTT (0.68) ALDH1A1APEX1HTTTP53FOLH1
SCHEMBL2451531 0.87 ALDH1A1 (0.59) ALDH1A1APEX1HTTTP53KMT2A
SCHEMBL2455046 0.85 ALDH1A1 (0.57) ALDH1A1APEX1HTTTP53KMT2A
SCHEMBL5838420 0.85 ALDH1A1 (0.57) ALDH1A1APEX1HTTTP53SGMS2
SCHEMBL6447237 0.84 ALDH1A1 (0.68) ALDH1A1APEX1HTTTP53SGMS2
SCHEMBL1388012 0.84 ALDH1A1 (0.68) ALDH1A1APEX1HTTTP53KMT2A
SCHEMBL26639282 0.83 ALDH1A1 (0.71) ALDH1A1APEX1HTTTP53SGMS2
SCHEMBL5908181 0.83 FOLH1 (0.62) ALDH1A1HTTTP53SGMS2KMT2A
SCHEMBL1169604 0.83 ALDH1A1 (0.66) ALDH1A1APEX1HTTTP53SGMS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110709255-B Recording material and compound 日本曹达株式会社 2021-08-06 — — CN disclosed
CN-110709255-A Recording material and compound 日本曹达株式会社 2020-01-17 — — CN disclosed
CN-102548768-A Recording material using phenolic compound NIPPON SODA CO 2012-07-04 — — CN disclosed
CN-102112321-A Color-developing composition containing molecular compound and recording material NIPPON SODA CO 2011-06-29 — — CN disclosed
US-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 — — US disclosed
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