SCHEMBL31065849

SCHEMBL31065849

N[C@@H]1C[C@H](C(=O)O)Cc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
OAT P04181 1/20 0.42
KDM1A O60341 5/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
GRM1 Q13255 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL10810985 1.00 ABAT (0.46) ABATSIGMAR1OATKDM1AAKR1C3
Hydrochloric Acid SCHEMBL10810614 0.98 SIGMAR1 (0.45) ABATSIGMAR1OATKDM1AAKR1C3
SCHEMBL8370379 0.81 ALDH1A1 (0.42) SIGMAR1AKR1C3AKR1C1GRM1TSHR
Hydrochloric Acid SCHEMBL29057540 0.80 KMT2A (0.40) SIGMAR1KDM1ATSHR
Hydrochloric Acid SCHEMBL10808302 0.80 KMT2A (0.40) SIGMAR1KDM1ATSHR
Hydrochloric Acid SCHEMBL10808293 0.80 KMT2A (0.40) SIGMAR1KDM1ATSHR
Hydrochloric Acid SCHEMBL10808288 0.80 KMT2A (0.40) SIGMAR1KDM1ATSHR
SCHEMBL11002607 0.79 TSHR (0.40) SIGMAR1AKR1C3AKR1C1TSHRNPSR1
SCHEMBL10818600 0.79 ABAT (0.42) ABATOAT
SCHEMBL10818593 0.79 ABAT (0.42) ABATOAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118946554-A Process for preparing cis-4-aminotetralin-2-carboxylate 拜耳公司 2024-11-12 CN disclosed
CN-118946554-A Process for preparing cis-4-aminotetralin-2-carboxylate 拜耳公司 2024-11-12 CN disclosed
CN-118748994-A Process for preparing cis-4-aminotetralin-2-carboxylate 拜耳公司 2024-10-08 CN disclosed
CN-118748994-A Process for preparing cis-4-aminotetralin-2-carboxylate 拜耳公司 2024-10-08 CN disclosed