SCHEMBL15539716

SCHEMBL15539716

CC(C)(C)[C@]1(O)CCCC[C@@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
SLC18A3 Q16572 1/20 0.41
SLC6A9 P48067 3/20 0.41
TSHR P16473 1/20 0.40
KDM1A O60341 5/20 0.38
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL28766998 0.77 SLC18A3 (0.55) TRPA1SLC18A3SLC6A9TSHRKDM1A
SCHEMBL8323357 0.77 TSHR (0.45) TRPA1SLC18A3TSHRKDM1AMAOA
SCHEMBL5349573 0.74 KDM1A (0.47) TRPA1SLC18A3TSHRKDM1AMAOA
SCHEMBL11476007 0.73 TRPA1 (0.41) TRPA1SLC18A3SLC6A9TSHRKDM1A
SCHEMBL4989697 0.73 KDM1A (0.45) TRPA1SLC18A3TSHRKDM1AMAOA
SCHEMBL1535881 0.72 SLC6A9 (0.43) TRPA1SLC18A3SLC6A9TSHRKDM1A
SCHEMBL8720460 0.72 KDM1A (0.42) TRPA1SLC18A3SLC6A9TSHRKDM1A
Hydrochloric Acid SCHEMBL27656059 0.72 KDM1A (0.46) TRPA1SLC18A3TSHRKDM1AMAOA
SCHEMBL28020963 0.72 TRPA1 (0.54) TRPA1SLC18A3TSHRKDM1AMAOA
SCHEMBL23646574 0.71 AKR1C1 (0.42) TRPA1SLC18A3SLC6A9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862023-A1 RECORDING MEDIUM, IMAGE RECORDING DEVICE, AND IMAGE RECORDING SET Ricoh Company, Ltd. (JP) 2015-04-22 EP disclosed
WO-2013187531-A1 RECORDING MEDIUM, IMAGE RECORDING DEVICE, AND IMAGE RECORDING SET RICOH COMPANY, LTD. (JP) 2013-12-19 WO disclosed