SCHEMBL24793774

SCHEMBL24793774

CCCc1ccc(C(=O)OCCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.54
▸ ESR1 P03372 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ LMNA P02545 3/20 0.51
▸ CYP4A11 Q02928 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NR1H2 P55055 1/20 0.51
▸ RNASEL Q05823 1/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CYP4F2 P78329 2/20 0.50

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
SCHEMBL10949603 0.89 ALDH1A1 (0.68) TSHRESR1ALDH1A1CHRM1SLC6A2
SCHEMBL29311434 0.87 ALDH1A1 (0.70) TSHRESR1ALDH1A1CHRM1SLC6A2
SCHEMBL10174562 0.87 TSHR (0.55) TSHRESR1ALDH1A1CHRM1SLC6A2
SCHEMBL10950553 0.86 ESR1 (0.70) TSHRESR1ALDH1A1CHRM1SLC6A2
SCHEMBL12092864 0.85 ALDH1A1 (0.72) TSHRESR1ALDH1A1CHRM1SLC6A2
SCHEMBL26453328 0.85 TDP1 (0.54) TSHRESR1ALDH1A1CHRM1SLC6A2
SCHEMBL19235060 0.85 TDP1 (0.54) TSHRESR1ALDH1A1CHRM1SLC6A2
SCHEMBL13292517 0.85 TDP1 (0.54) TSHRESR1ALDH1A1CHRM1SLC6A2
SCHEMBL28152537 0.85 TSHR (0.53) TSHRESR1ALDH1A1CHRM1SLC6A2
SCHEMBL11042175 0.85 TSHR (0.62) TSHRESR1ALDH1A1CHRM1SLC6A2

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
US-20230203579-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 — — US disclosed
US-20220396834-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2022-12-15 — — US disclosed
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