SCHEMBL29873370

SCHEMBL29873370

CC(C)Cc1ccc2ncccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 3/20 0.52
POLB P06746 2/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ACACB O00763 1/20 0.48
CHKA P35790 2/20 0.48
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MET P08581 4/20 0.46

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
SCHEMBL113636 1.00 ALDH1A1 (0.53) ALDH1A1NPC1POLBRAB9AMAPT
SCHEMBL26854390 0.87 ALDH1A1 (0.50) ALDH1A1NPC1POLBRAB9AMAPT
SCHEMBL13034790 0.86 ALDH1A1 (0.53) ALDH1A1NPC1POLBRAB9ATP53
SCHEMBL27620527 0.83 NPC1 (0.52) ALDH1A1NPC1POLBRAB9AMAPT
SCHEMBL10363647 0.82 ALDH1A1 (0.49) ALDH1A1NPC1POLBRAB9AMAPT
SCHEMBL5778370 0.82 ACACB (0.48) ALDH1A1NPC1POLBRAB9AMAPT
SCHEMBL6290219 0.81 KCNH2 (0.48) ALDH1A1NPC1POLBRAB9AMAPT
SCHEMBL934232 0.81 FCER2 (0.53) ALDH1A1NPC1POLBRAB9AMAPT
SCHEMBL28308974 0.81 ACACB (0.45) ALDH1A1NPC1POLBRAB9AMAPT
SCHEMBL1868192 0.80 PDE10A (0.42) ALDH1A1TP53TSHRSMN1; SMN2ACACB

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
WO-2025093183-A1 ACTIVE INGREDIENT COMBINATIONS CONSISTING OF ALKYLAMIDOTHIAZOLES AND ISOBUTYLQUINOLINE BEIERSDORF AG (DE) 2025-05-08 WO disclosed
US-20240301319-A1 PERFUMING COMPOSITIONS FIRMNICH SA (CH) 2024-09-12 US disclosed
EP-4428219-A2 COMPOSITION FOR ODOUR IMPROVEMENT Symrise AG (DE) 2024-09-11 EP disclosed
WO-2024175295-A1 DETERGENTS AND CLEANING AGENTS COMPRISING DISPERSIN AND FRAGRANCE HENKEL AG & CO. KGAA (DE) 2024-08-29 WO disclosed
EP-3618798-B1 COMPOSITION FOR ODOUR IMPROVEMENT SYMRISE AG (DE) 2024-08-21 EP disclosed
US-12018226-B2 Perfuming compositions FIRMENICH SA (CH) 2024-06-25 US disclosed
US-11427783-B2 Perfuming compositions FIRMENICH SA (CH) 2022-08-30 US disclosed