SCHEMBL28397371

SCHEMBL28397371

O=C(O)c1ccc(-c2ccccc2-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.62
MAP4K4 O95819 1/20 0.57
TSHR P16473 2/20 0.56
DAO P14920 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
BCL2L1 Q07817 1/20 0.56
BAD Q92934 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SRD5A2 P31213 2/20 0.55
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TP53 P04637 1/20 0.55
RXRA P19793 2/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
RARB P10826 1/20 0.54
RARG P13631 1/20 0.54

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
SCHEMBL36017 0.98 TSHR (0.59) EGFRMAP4K4TSHRDAONAPRT
SCHEMBL25390971 0.95 TSHR (0.62) EGFRMAP4K4TSHRDAONAPRT
SCHEMBL31327313 0.93 TSHR (0.59) EGFRMAP4K4TSHRDAONAPRT
SCHEMBL31236746 0.93 TSHR (0.59) EGFRMAP4K4TSHRDAONAPRT
SCHEMBL7155730 0.91 EGFR (0.72) EGFRTSHRDAONAPRTBCL2L1
Biphenyl SCHEMBL5186249 0.91 EGFR (0.72) EGFRTSHRDAONAPRTBCL2L1
Benzene SCHEMBL28431643 0.91 EGFR (0.72) EGFRTSHRDAONAPRTBCL2L1
Terephthalic Acid SCHEMBL10780545 0.91 EGFR (0.72) EGFRTSHRDAONAPRTBCL2L1
SCHEMBL38562 0.91 EGFR (0.72) EGFRTSHRDAONAPRTBCL2L1
Biphenyl SCHEMBL27749501 0.91 EGFR (0.72) EGFRTSHRDAONAPRTBCL2L1

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-115551372-A Moisture regulating composition and support material containing the same 菲利普莫里斯生产公司 2022-12-30 CN claimed
CN-115515708-A Package containing tobacco or nicotine products comprising a moisture regulating product 菲利普莫里斯生产公司 2022-12-23 CN claimed
CN-115551372-A Moisture regulating composition and support material containing the same 菲利普莫里斯生产公司 2022-12-30 CN disclosed
CN-115515708-A Package containing tobacco or nicotine products comprising a moisture regulating product 菲利普莫里斯生产公司 2022-12-23 CN disclosed
CN-111182964-A Chromium-based metal-organic frameworks for water adsorption related applications and gas storage 阿卜杜拉国王科技大学 2020-05-19 CN disclosed