SCHEMBL28510668

SCHEMBL28510668

Nc1ccccc1C(=O)N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ P2RX7 Q99572 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ ALOX5AP P20292 1/20 0.48
▸ FEN1 P39748 1/20 0.48
▸ GAA P10253 2/20 0.48
▸ BMPR1B O00238 1/20 0.47
▸ BMPR1A P36894 1/20 0.47
▸ TGFBR1 P36897 1/20 0.47
▸ ACVRL1 P37023 1/20 0.47
▸ ACVR1 Q04771 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL2771766 1.00 CRBN (0.51) CRBNALDH1A1KDM4ENPC1RAB9A
SCHEMBL2771765 1.00 CRBN (0.51) CRBNALDH1A1KDM4ENPC1RAB9A
SCHEMBL2060435 0.93 CRBN (0.56) CRBNALDH1A1KDM4ENPC1RAB9A
Water SCHEMBL28110279 0.92 CRBN (0.55) CRBNALDH1A1KDM4ENPC1RAB9A
SCHEMBL4960760 0.87 NPC1 (0.53) CRBNALDH1A1KDM4ENPC1RAB9A
SCHEMBL22720116 0.87 ALDH1A1 (0.66) CRBNALDH1A1KDM4ENPC1RAB9A
SCHEMBL13161898 0.87 ALDH1A1 (0.61) CRBNALDH1A1KDM4ENPC1RAB9A
SCHEMBL13634186 0.86 RAB9A (0.59) CRBNALDH1A1KDM4ENPC1RAB9A
SCHEMBL22720137 0.86 RAB9A (0.59) CRBNALDH1A1KDM4ENPC1RAB9A
SCHEMBL2154833 0.85 ALDH1A1 (0.69) ALDH1A1KDM4ENPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341347-B Synthetic method of ambroxol hydrochloride 中国药科大学 2022-03-08 — — CN claimed
CN-112341347-A Synthetic method of ambroxol hydrochloride 中国药科大学 2021-02-09 — — CN claimed
CN-117886699-A New process for synthesizing ambroxol hydrochloride intermediate 江苏阿尔法药业股份有限公司 2024-04-16 — — CN disclosed
CN-112341347-B Synthetic method of ambroxol hydrochloride 中国药科大学 2022-03-08 — — CN disclosed
CN-112341347-B Synthetic method of ambroxol hydrochloride 中国药科大学 2022-03-08 — — CN disclosed
CN-112341347-A Synthetic method of ambroxol hydrochloride 中国药科大学 2021-02-09 — — CN disclosed
CN-112341347-A Synthetic method of ambroxol hydrochloride 中国药科大学 2021-02-09 — — CN disclosed
Send feedback