SCHEMBL8190038

SCHEMBL8190038

C[C@@H](N)C(=O)OP(=O)(O)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 4/20 0.46
ANPEP P15144 3/20 0.46
ERAP2 Q6P179 3/20 0.46
TSHR P16473 2/20 0.45
CYP2D6 P10635 1/20 0.44
LAP3 P28838 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
IL1RN P18510 2/20 0.42
CETP P11597 1/20 0.42

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
SCHEMBL23542541 0.74 NPC1 (0.53) TSHRALDH1A1
SCHEMBL8459566 0.74 ALDH1A1 (0.38) ERAP1ANPEPTSHRLAP3ALDH1A1
SCHEMBL28153833 0.74 TSHR (0.56) ERAP1ANPEPERAP2TSHRCYP2D6
SCHEMBL28294078 0.73 TSHR (0.47) TSHRCYP2D6LAP3ALDH1A1CETP
Hydrochloric Acid SCHEMBL18954361 0.73 NPC1 (0.51) TSHRALDH1A1
SCHEMBL28111320 0.73 POLB (0.42) ERAP1ANPEPERAP2TSHRLAP3
SCHEMBL3380549 0.73 S1PR2 (0.46) ERAP1ANPEPERAP2TSHRS1PR2
SCHEMBL7627056 0.72 ALPI (0.50) ANPEPERAP2LAP3
SCHEMBL28464109 0.72 LMNA (0.65) CYP2D6ALDH1A1
SCHEMBL5934300 0.71 ALDH1A1 (0.41) TSHRCYP2D6LAP3ALDH1A1

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
EP-0413762-B1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN INT INC (US) 2000-07-12 EP disclosed
EP-0413762-A4 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES 1992-01-15 EP disclosed
EP-0413762-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INCORPORATED (US) 1991-02-27 EP disclosed
WO-1989010961-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INC. (US) 1989-11-16 WO disclosed