SCHEMBL29157263

SCHEMBL29157263

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCCCCCCCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.54
EPHX1 P07099 3/20 0.50
ALDH1A1 P00352 8/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.46
MAPK1 P28482 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MITF O75030 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL19911164 0.94 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1MAPTLMNA
SCHEMBL8576017 0.94 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1MAPTLMNA
SCHEMBL6285383 0.94 CYP19A1 (0.59) CYP19A1EPHX1ALDH1A1MAPTLMNA
SCHEMBL121174 0.91 CYP19A1 (0.59) CYP19A1EPHX1ALDH1A1MAPTLMNA
SCHEMBL9996877 0.91 CYP19A1 (0.59) CYP19A1EPHX1ALDH1A1MAPTLMNA
SCHEMBL23700051 0.90 CYP19A1 (0.53) CYP19A1EPHX1ALDH1A1MAPTLMNA
SCHEMBL6748094 0.90 CYP19A1 (0.53) CYP19A1EPHX1ALDH1A1MAPTLMNA
SCHEMBL9151592 0.90 CYP19A1 (0.53) CYP19A1EPHX1ALDH1A1MAPTLMNA
SCHEMBL20496946 0.90 CYP19A1 (0.53) CYP19A1EPHX1ALDH1A1MAPTLMNA
SCHEMBL1682252 0.90 CYP19A1 (0.53) CYP19A1EPHX1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117582375-A Antipruritic composition and preparation method and application thereof 深圳杉海创新技术有限公司 2024-02-23 CN claimed
CN-117582375-A Antipruritic composition and preparation method and application thereof 深圳杉海创新技术有限公司 2024-02-23 CN disclosed
CN-117582375-A Antipruritic composition and preparation method and application thereof 深圳杉海创新技术有限公司 2024-02-23 CN disclosed