SCHEMBL9546445

SCHEMBL9546445

COc1ccc2cc(CC(C)O)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.56
AKR1C3 P42330 3/20 0.56
AKR1C2 P52895 3/20 0.56
CYP1A2 P05177 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
SLC6A2 P23975 1/20 0.53
RAB9A P51151 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ABCB11 O95342 1/20 0.51
SLC2A1 P11166 1/20 0.50
RAD52 P43351 1/20 0.49
PAX8 Q06710 1/20 0.49
PTGS2 P35354 4/20 0.49

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
SCHEMBL9546449 1.00 PTGS1 (0.56) PTGS1AKR1C3AKR1C2CYP1A2LMNA
SCHEMBL30776613 1.00 PTGS1 (0.56) PTGS1AKR1C3AKR1C2CYP1A2LMNA
SCHEMBL11015452 0.97 PTGS1 (0.53) PTGS1AKR1C3AKR1C2CYP1A2LMNA
SCHEMBL9176689 0.87 HTR2A (0.53) AKR1C3AKR1C2CYP1A2LMNAMAPT
SCHEMBL11139966 0.86 PTGS1 (0.53) PTGS1AKR1C3AKR1C2CYP1A2LMNA
SCHEMBL13484112 0.85 PTGS1 (0.54) PTGS1AKR1C3AKR1C2CYP1A2LMNA
SCHEMBL11079473 0.83 CYP1A2 (0.58) PTGS1AKR1C3AKR1C2CYP1A2LMNA
SCHEMBL8338309 0.83 CYP1A2 (0.58) PTGS1AKR1C3AKR1C2CYP1A2LMNA
SCHEMBL8683396 0.83 AKR1C3 (0.53) PTGS1AKR1C3AKR1C2CYP1A2LMNA
SCHEMBL27512042 0.83 CYP1A2 (0.54) PTGS1AKR1C3AKR1C2CYP1A2LMNA

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-117586115-A Preparation method of naproxen 黑龙江立科新材料有限公司 2024-02-23 CN claimed
CN-117586115-A Preparation method of naproxen 黑龙江立科新材料有限公司 2024-02-23 CN disclosed
CN-117586115-A Preparation method of naproxen 黑龙江立科新材料有限公司 2024-02-23 CN disclosed
CN-110724032-A Method for preparing alcohol compound by hydrogenation reduction of ketone and aldehyde 大连理工大学 2020-01-24 CN disclosed
WO-1993023547-A1 ENZYMATIC PROCESS FOR PRODUCTION OF S-6-METHOXY-α-METHYL-2-NAPHTHALENEACETIC ACID SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1993-11-25 WO disclosed